6-amino-N-(3-fluorophenyl)-2-methylheptanamide

C14H21FN2O — CID 65292739

IUPAC6-amino-N-(3-fluorophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(5-3-6-11(2)16)14(18)17-13-8-4-7-12(15)9-13/h4,7-11H,3,5-6,16H2,1-2H3,(H,17,18)
InChIKeyZZRCZFOKUBFXSS-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.92
Rot. Bonds6

About 6-amino-N-(3-fluorophenyl)-2-methylheptanamide

6-amino-N-(3-fluorophenyl)-2-methylheptanamide (PubChem CID 65292739) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-amino-N-(3-fluorophenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-fluorophenyl)-2-methylheptanamide
PubChem CID65292739
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-(3-fluorophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(5-3-6-11(2)16)14(18)17-13-8-4-7-12(15)9-13/h4,7-11H,3,5-6,16H2,1-2H3,(H,17,18)
InChIKeyZZRCZFOKUBFXSS-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
6-amino-N-(4-fluoro-3-methylphenyl)-2-methylheptanamide
CID 65291128
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
CID 65290661
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
6-amino-N-(4-cyanophenyl)-2-methylheptanamide
CID 65293297

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-fluorophenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-fluorophenyl)-2-methylheptanamide (CID 65292739) is 6-amino-N-(3-fluorophenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-fluorophenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-fluorophenyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 6-amino-N-(3-fluorophenyl)-2-methylheptanamide?
The InChIKey is ZZRCZFOKUBFXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(5-3-6-11(2)16)14(18)17-13-8-4-7-12(15)9-13/h4,7-11H,3,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-N-(3-fluorophenyl)-2-methylheptanamide?
6-amino-N-(3-fluorophenyl)-2-methylheptanamide has a molecular weight of 252.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-fluorophenyl)-2-methylheptanamide is sourced from PubChem (CID 65292739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).