N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide

C14H16F2N2O2 — CID 110196340

IUPACN-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(F)c2)CCCCC(=O)N1
InChIInChI=1S/C14H16F2N2O2/c1-14(7-3-2-4-12(19)18-14)13(20)17-9-5-6-10(15)11(16)8-9/h5-6,8H,2-4,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyMVYDVHXIBVVGNY-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.35
Rot. Bonds2

About N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide

N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110196340) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
PubChem CID110196340
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(F)c2)CCCCC(=O)N1
InChIInChI=1S/C14H16F2N2O2/c1-14(7-3-2-4-12(19)18-14)13(20)17-9-5-6-10(15)11(16)8-9/h5-6,8H,2-4,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyMVYDVHXIBVVGNY-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 164633014
methyl 1-[(3,4-difluorophenyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184233
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-(3,4-difluorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4909201
(2S)-2-methyl-N-[(4-methylphenyl)methyl]-7-oxoazepane-2-carboxamide
CID 164629620
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(3,4-difluorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80590768
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide (CID 110196340) is N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide is CC1(C(=O)Nc2ccc(F)c(F)c2)CCCCC(=O)N1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is MVYDVHXIBVVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-14(7-3-2-4-12(19)18-14)13(20)17-9-5-6-10(15)11(16)8-9/h5-6,8H,2-4,7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide?
N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).