N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide

C20H19ClF2N2O2 — CID 53488317

IUPACN-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
SMILESO=C(NC1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-7-4-13(5-8-15)12-25-10-2-1-3-18(20(25)27)24-19(26)14-6-9-16(22)17(23)11-14/h4-9,11,18H,1-3,10,12H2,(H,24,26)
InChIKeyVLJUTGRMMAFMHA-UHFFFAOYSA-N
MW392.83 g/mol
LogP3.93
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide

N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide (PubChem CID 53488317) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
PubChem CID53488317
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
SMILESO=C(NC1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-7-4-13(5-8-15)12-25-10-2-1-3-18(20(25)27)24-19(26)14-6-9-16(22)17(23)11-14/h4-9,11,18H,1-3,10,12H2,(H,24,26)
InChIKeyVLJUTGRMMAFMHA-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3-nitrobenzamide
CID 53488341
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
4-butoxy-N-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835672
1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
CID 56835679
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
CID 11744168
N-(1-benzyl-2-oxoazepan-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10225419
N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
CID 56643350
3-chloro-N-[2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]azepan-3-yl]propanamide
CID 56643326
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 126778112
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835635

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide (CID 53488317) is N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide is O=C(NC1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide?
The InChIKey is VLJUTGRMMAFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c21-15-7-4-13(5-8-15)12-25-10-2-1-3-18(20(25)27)24-19(26)14-6-9-16(22)17(23)11-14/h4-9,11,18H,1-3,10,12H2,(H,24,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide?
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide has a molecular weight of 392.83 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 53488317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).