2-amino-N-(2-chlorophenyl)-4-phenylbutanamide

C16H17ClN2O — CID 114924914

IUPAC2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c17-13-8-4-5-9-15(13)19-16(20)14(18)11-10-12-6-2-1-3-7-12/h1-9,14H,10-11,18H2,(H,19,20)
InChIKeyUNZWCGTZVRNATH-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide

2-amino-N-(2-chlorophenyl)-4-phenylbutanamide (PubChem CID 114924914) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
PubChem CID114924914
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c17-13-8-4-5-9-15(13)19-16(20)14(18)11-10-12-6-2-1-3-7-12/h1-9,14H,10-11,18H2,(H,19,20)
InChIKeyUNZWCGTZVRNATH-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
CID 104906824
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide (CID 114924914) is 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide?
The InChIKey is UNZWCGTZVRNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-13-8-4-5-9-15(13)19-16(20)14(18)11-10-12-6-2-1-3-7-12/h1-9,14H,10-11,18H2,(H,19,20).
What are the key properties of 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide?
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide has a molecular weight of 288.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chlorophenyl)-4-phenylbutanamide is sourced from PubChem (CID 114924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).