N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide

C14H19FN2O2 — CID 116636581

IUPACN-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCCCC1CO
InChIInChI=1S/C14H19FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-9-3-1-2-4-13(17)10-18/h5-8,13,18H,1-4,9-10H2,(H,16,19)
InChIKeyGUZXUDCDZMBHDU-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.59
Rot. Bonds2

About N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide

N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide (PubChem CID 116636581) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
PubChem CID116636581
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCCCCC1CO
InChIInChI=1S/C14H19FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-9-3-1-2-4-13(17)10-18/h5-8,13,18H,1-4,9-10H2,(H,16,19)
InChIKeyGUZXUDCDZMBHDU-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 71845869
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide (CID 116636581) is N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCCCCC1CO.
What is the InChIKey of N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide?
The InChIKey is GUZXUDCDZMBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-9-3-1-2-4-13(17)10-18/h5-8,13,18H,1-4,9-10H2,(H,16,19).
What are the key properties of N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide?
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide is sourced from PubChem (CID 116636581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).