N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide

C14H17FN2O2 — CID 110196319

IUPACN-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
SMILESO=C1CCCCC(C(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C14H17FN2O2/c15-11-7-5-10(6-8-11)9-16-14(19)12-3-1-2-4-13(18)17-12/h5-8,12H,1-4,9H2,(H,16,19)(H,17,18)
InChIKeyYDKVUMKFXVGHTN-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.50
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide

N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide (PubChem CID 110196319) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
PubChem CID110196319
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
SMILESO=C1CCCCC(C(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C14H17FN2O2/c15-11-7-5-10(6-8-11)9-16-14(19)12-3-1-2-4-13(18)17-12/h5-8,12H,1-4,9H2,(H,16,19)(H,17,18)
InChIKeyYDKVUMKFXVGHTN-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
trans-(1S,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6593035
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
N-[(3-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56818163
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
methyl 4-[2-[[(2S)-7-oxoazepane-2-carbonyl]amino]ethyl]benzoate
CID 124626533
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide (CID 110196319) is N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide is O=C1CCCCC(C(=O)NCc2ccc(F)cc2)N1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide?
The InChIKey is YDKVUMKFXVGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-7-5-10(6-8-11)9-16-14(19)12-3-1-2-4-13(18)17-12/h5-8,12H,1-4,9H2,(H,16,19)(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide?
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).