6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide

C15H23FN2O — CID 65291128

IUPAC6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
SMILESCc1cc(NC(=O)C(C)CCCC(C)N)ccc1F
InChIInChI=1S/C15H23FN2O/c1-10(5-4-6-12(3)17)15(19)18-13-7-8-14(16)11(2)9-13/h7-10,12H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyFLHIOVGYLWUMTL-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.23
Rot. Bonds6

About 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide

6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide (PubChem CID 65291128) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
PubChem CID65291128
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
SMILESCc1cc(NC(=O)C(C)CCCC(C)N)ccc1F
InChIInChI=1S/C15H23FN2O/c1-10(5-4-6-12(3)17)15(19)18-13-7-8-14(16)11(2)9-13/h7-10,12H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyFLHIOVGYLWUMTL-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
CID 65290661
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)-4-methylsulfanylbutanamide
CID 55119461
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide (CID 65291128) is 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide is Cc1cc(NC(=O)C(C)CCCC(C)N)ccc1F.
What is the InChIKey of 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide?
The InChIKey is FLHIOVGYLWUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(5-4-6-12(3)17)15(19)18-13-7-8-14(16)11(2)9-13/h7-10,12H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide?
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide has a molecular weight of 266.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide is sourced from PubChem (CID 65291128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).