2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide

C16H16ClFN2O — CID 62538120

IUPAC2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-16(19,12-5-3-2-4-6-12)15(21)20-10-11-7-8-14(18)13(17)9-11/h2-9H,10,19H2,1H3,(H,20,21)
InChIKeyAALSJVZJQAXTFO-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.97
Rot. Bonds4

About 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide

2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide (PubChem CID 62538120) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide
PubChem CID62538120
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-16(19,12-5-3-2-4-6-12)15(21)20-10-11-7-8-14(18)13(17)9-11/h2-9H,10,19H2,1H3,(H,20,21)
InChIKeyAALSJVZJQAXTFO-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 62539285
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103733439
(2S)-2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119707921
4-[(3-chloro-4-fluorophenyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 62537418
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
CID 115166258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide (CID 62538120) is 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide is CC(N)(C(=O)NCc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide?
The InChIKey is AALSJVZJQAXTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-16(19,12-5-3-2-4-6-12)15(21)20-10-11-7-8-14(18)13(17)9-11/h2-9H,10,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide?
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide has a molecular weight of 306.77 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 62538120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).