N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide

C15H18F2N2O2 — CID 110876447

IUPACN-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)NCc2cc(F)ccc2F)CCCCC(=O)N1
InChIInChI=1S/C15H18F2N2O2/c1-15(7-3-2-4-13(20)19-15)14(21)18-9-10-8-11(16)5-6-12(10)17/h5-6,8H,2-4,7,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyCVEVSIHZSFCJCH-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.03
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide

N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide (PubChem CID 110876447) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide
PubChem CID110876447
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide
SMILESCC1(C(=O)NCc2cc(F)ccc2F)CCCCC(=O)N1
InChIInChI=1S/C15H18F2N2O2/c1-15(7-3-2-4-13(20)19-15)14(21)18-9-10-8-11(16)5-6-12(10)17/h5-6,8H,2-4,7,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyCVEVSIHZSFCJCH-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide (CID 110876447) is N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide is CC1(C(=O)NCc2cc(F)ccc2F)CCCCC(=O)N1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is CVEVSIHZSFCJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-15(7-3-2-4-13(20)19-15)14(21)18-9-10-8-11(16)5-6-12(10)17/h5-6,8H,2-4,7,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide?
N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110876447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).