4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide

C17H19FN2O — CID 63324007

IUPAC4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
SMILESCc1c(F)cccc1NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-12-14(18)8-5-9-16(12)20-17(21)11-10-15(19)13-6-3-2-4-7-13/h2-9,15H,10-11,19H2,1H3,(H,20,21)
InChIKeyCBSZOEMADUYPIW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.55
Rot. Bonds5

About 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide

4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide (PubChem CID 63324007) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
PubChem CID63324007
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
SMILESCc1c(F)cccc1NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-12-14(18)8-5-9-16(12)20-17(21)11-10-15(19)13-6-3-2-4-7-13/h2-9,15H,10-11,19H2,1H3,(H,20,21)
InChIKeyCBSZOEMADUYPIW-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
CID 119950525
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
3-(3-aminobutylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66234179
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(3-fluoro-2-methylphenyl)propanamide
CID 120759781
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide (CID 63324007) is 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide is Cc1c(F)cccc1NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide?
The InChIKey is CBSZOEMADUYPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-14(18)8-5-9-16(12)20-17(21)11-10-15(19)13-6-3-2-4-7-13/h2-9,15H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide?
4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide has a molecular weight of 286.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide is sourced from PubChem (CID 63324007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).