4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide

C14H20FN3O — CID 107174129

IUPAC4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
SMILESCN(c1ccc(C(N)=O)cc1F)C1CCCNCC1
InChIInChI=1S/C14H20FN3O/c1-18(11-3-2-7-17-8-6-11)13-5-4-10(14(16)19)9-12(13)15/h4-5,9,11,17H,2-3,6-8H2,1H3,(H2,16,19)
InChIKeyCWLIHKSVSJADJR-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.50
Rot. Bonds3

About 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide

4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide (PubChem CID 107174129) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
PubChem CID107174129
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
SMILESCN(c1ccc(C(N)=O)cc1F)C1CCCNCC1
InChIInChI=1S/C14H20FN3O/c1-18(11-3-2-7-17-8-6-11)13-5-4-10(14(16)19)9-12(13)15/h4-5,9,11,17H,2-3,6-8H2,1H3,(H2,16,19)
InChIKeyCWLIHKSVSJADJR-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide
CID 158043108
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
N-[2-bromo-4-(trifluoromethyl)phenyl]-N-methylazepan-4-amine
CID 107174118
N-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylazepan-4-amine
CID 107260569
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621481
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751

Frequently Asked Questions

What is the IUPAC name of 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide?
The IUPAC name of 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide (CID 107174129) is 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide?
The canonical SMILES for 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide is CN(c1ccc(C(N)=O)cc1F)C1CCCNCC1.
What is the InChIKey of 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide?
The InChIKey is CWLIHKSVSJADJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(11-3-2-7-17-8-6-11)13-5-4-10(14(16)19)9-12(13)15/h4-5,9,11,17H,2-3,6-8H2,1H3,(H2,16,19).
What are the key properties of 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide?
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide has a molecular weight of 265.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide is sourced from PubChem (CID 107174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).