2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide

C17H19ClN2O — CID 114928777

IUPAC2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
SMILESCc1cccc(Cl)c1NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12-6-5-9-14(18)16(12)20-17(21)15(19)11-10-13-7-3-2-4-8-13/h2-9,15H,10-11,19H2,1H3,(H,20,21)
InChIKeyDSHFRTXEQSFYIR-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.55
Rot. Bonds5

About 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide

2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide (PubChem CID 114928777) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
PubChem CID114928777
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
SMILESCc1cccc(Cl)c1NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12-6-5-9-14(18)16(12)20-17(21)15(19)11-10-13-7-3-2-4-8-13/h2-9,15H,10-11,19H2,1H3,(H,20,21)
InChIKeyDSHFRTXEQSFYIR-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 ≤ 500302.81
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905306
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 4986373
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
CID 61148146
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide (CID 114928777) is 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide is Cc1cccc(Cl)c1NC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide?
The InChIKey is DSHFRTXEQSFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-6-5-9-14(18)16(12)20-17(21)15(19)11-10-13-7-3-2-4-8-13/h2-9,15H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide?
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide has a molecular weight of 302.81 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 2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide is sourced from PubChem (CID 114928777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).