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

C19H21ClF4N4O2 — CID 169215721

IUPACN-(3-chloro-4-fluorophenyl)-2-[6-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetamide
SMILESO=C(CN1CC2CC(C1)N2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClF4N4O2/c20-14-5-11(1-2-15(14)21)25-16(29)9-27-7-12-6-13(8-27)28(12)10-17(30)26-18(3-4-18)19(22,23)24/h1-2,5,12-13H,3-4,6-10H2,(H,25,29)(H,26,30)
InChIKeyZLGYNBCVFJQKCZ-UHFFFAOYSA-N
MW448.85 g/mol
LogP2.39
Rot. Bonds6

About 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

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 (PubChem CID 169215721) has the molecular formula C19H21ClF4N4O2 and a molecular weight of 448.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[6-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetamide
PubChem CID169215721
Molecular FormulaC19H21ClF4N4O2
Molecular Weight448.85 g/mol
Exact Mass448.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[6-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetamide
SMILESO=C(CN1CC2CC(C1)N2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClF4N4O2/c20-14-5-11(1-2-15(14)21)25-16(29)9-27-7-12-6-13(8-27)28(12)10-17(30)26-18(3-4-18)19(22,23)24/h1-2,5,12-13H,3-4,6-10H2,(H,25,29)(H,26,30)
InChIKeyZLGYNBCVFJQKCZ-UHFFFAOYSA-N
XLogP2.39
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 103576696
N-tert-butyl-2-(3-ethyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)acetamide;N-(3-chloro-4-fluorophenyl)formamide
CID 169215782
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
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
3-chloro-5-fluoro-N-[[8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide
CID 126736709

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN1CC2CC(C1)N2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 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?
The InChIKey is ZLGYNBCVFJQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF4N4O2/c20-14-5-11(1-2-15(14)21)25-16(29)9-27-7-12-6-13(8-27)28(12)10-17(30)26-18(3-4-18)19(22,23)24/h1-2,5,12-13H,3-4,6-10H2,(H,25,29)(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 448.85 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169215721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).