N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide

C20H21F7N4O3 — CID 169215738

IUPACN-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESO=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1cc(F)c(F)c(OC(F)F)c1
InChIInChI=1S/C20H21F7N4O3/c21-13-3-10(4-14(17(13)22)34-18(23)24)28-15(32)8-30-6-12-5-11(30)7-31(12)9-16(33)29-19(1-2-19)20(25,26)27/h3-4,11-12,18H,1-2,5-9H2,(H,28,32)(H,29,33)/t11-,12-/m0/s1
InChIKeyHGTILNHGYUNHGD-RYUDHWBXSA-N
MW498.40 g/mol
LogP2.47
Rot. Bonds8

About N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide

N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide (PubChem CID 169215738) has the molecular formula C20H21F7N4O3 and a molecular weight of 498.40 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide
PubChem CID169215738
Molecular FormulaC20H21F7N4O3
Molecular Weight498.40 g/mol
Exact Mass498.15
IUPAC NameN-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESO=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1cc(F)c(F)c(OC(F)F)c1
InChIInChI=1S/C20H21F7N4O3/c21-13-3-10(4-14(17(13)22)34-18(23)24)28-15(32)8-30-6-12-5-11(30)7-31(12)9-16(33)29-19(1-2-19)20(25,26)27/h3-4,11-12,18H,1-2,5-9H2,(H,28,32)(H,29,33)/t11-,12-/m0/s1
InChIKeyHGTILNHGYUNHGD-RYUDHWBXSA-N
XLogP2.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide with MolForge

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Related Compounds

N-[3-(difluoromethoxy)-5-fluorophenyl]-2-[5-[2-oxo-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide
CID 169215610
N-(3-chloro-4-fluorophenyl)-2-[6-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetamide
CID 169215721
N-(3-chloro-5-methoxyphenyl)-2-[6-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetamide
CID 169215653
2-[(1S,4S)-5-[2-(tert-butylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 170266925
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
4-fluoro-N-[[1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]piperidin-4-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 170153279
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide
CID 167893321
(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-[2-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169215701

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide?
The IUPAC name of N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide (CID 169215738) is N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide is O=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1cc(F)c(F)c(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide?
The InChIKey is HGTILNHGYUNHGD-RYUDHWBXSA-N. The full InChI is InChI=1S/C20H21F7N4O3/c21-13-3-10(4-14(17(13)22)34-18(23)24)28-15(32)8-30-6-12-5-11(30)7-31(12)9-16(33)29-19(1-2-19)20(25,26)27/h3-4,11-12,18H,1-2,5-9H2,(H,28,32)(H,29,33)/t11-,12-/m0/s1.
What are the key properties of N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide?
N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide has a molecular weight of 498.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4,5-difluorophenyl]-2-[(1S,4S)-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]acetamide is sourced from PubChem (CID 169215738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).