N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide

C21H23FN2O3 — CID 56643350

IUPACN-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCCCN(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C21H23FN2O3/c1-27-19-11-3-2-9-17(19)20(25)23-18-10-4-5-12-24(21(18)26)14-15-7-6-8-16(22)13-15/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,23,25)
InChIKeyYTGOHWKUQYYMBY-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.15
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide

N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide (PubChem CID 56643350) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
PubChem CID56643350
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCCCN(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C21H23FN2O3/c1-27-19-11-3-2-9-17(19)20(25)23-18-10-4-5-12-24(21(18)26)14-15-7-6-8-16(22)13-15/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,23,25)
InChIKeyYTGOHWKUQYYMBY-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
CID 53384965
1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
CID 56835679
N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]-2,3-bis(trifluoromethyl)benzamide
CID 56643391
N-(1-benzyl-2-oxoazepan-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10225419
2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 18392383
2-bromo-2,2-difluoro-N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]acetamide
CID 56643370
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
CID 53488317
2-methyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]benzamide
CID 59873509
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 45246389
5-[(3-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034534
N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11295093

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide (CID 56643350) is N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCCCN(Cc2cccc(F)c2)C1=O.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide?
The InChIKey is YTGOHWKUQYYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-27-19-11-3-2-9-17(19)20(25)23-18-10-4-5-12-24(21(18)26)14-15-7-6-8-16(22)13-15/h2-3,6-9,11,13,18H,4-5,10,12,14H2,1H3,(H,23,25).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide?
N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide has a molecular weight of 370.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 56643350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).