N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide

C21H22F2N2O3 — CID 51220458

IUPACN-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCOc1ccc(CN(C(=O)CCNC(=O)c2ccc(F)cc2F)C2CC2)cc1
InChIInChI=1S/C21H22F2N2O3/c1-28-17-7-2-14(3-8-17)13-25(16-5-6-16)20(26)10-11-24-21(27)18-9-4-15(22)12-19(18)23/h2-4,7-9,12,16H,5-6,10-11,13H2,1H3,(H,24,27)
InChIKeyCUIDJKZBGPSQNP-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.28
Rot. Bonds8

About N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 51220458) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID51220458
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC NameN-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCOc1ccc(CN(C(=O)CCNC(=O)c2ccc(F)cc2F)C2CC2)cc1
InChIInChI=1S/C21H22F2N2O3/c1-28-17-7-2-14(3-8-17)13-25(16-5-6-16)20(26)10-11-24-21(27)18-9-4-15(22)12-19(18)23/h2-4,7-9,12,16H,5-6,10-11,13H2,1H3,(H,24,27)
InChIKeyCUIDJKZBGPSQNP-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 29304745
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 24598993
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-nitrobenzamide
CID 9298690
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 29469634
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24515681
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 51220458) is N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide is COc1ccc(CN(C(=O)CCNC(=O)c2ccc(F)cc2F)C2CC2)cc1.
What is the InChIKey of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is CUIDJKZBGPSQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-28-17-7-2-14(3-8-17)13-25(16-5-6-16)20(26)10-11-24-21(27)18-9-4-15(22)12-19(18)23/h2-4,7-9,12,16H,5-6,10-11,13H2,1H3,(H,24,27).
What are the key properties of N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 388.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51220458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).