(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide

C17H19ClN2O — CID 21341484

IUPAC(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
SMILESCc1cc(NC(=O)[C@H](N)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-11-14(8-9-15(12)18)20-17(21)16(19)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,16H,7,10,19H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyNIJGBOHKLYULTO-MRXNPFEDSA-N
MW302.81 g/mol
LogP3.55
Rot. Bonds5

About (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide

(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide (PubChem CID 21341484) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
PubChem CID21341484
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
SMILESCc1cc(NC(=O)[C@H](N)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-11-14(8-9-15(12)18)20-17(21)16(19)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,16H,7,10,19H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyNIJGBOHKLYULTO-MRXNPFEDSA-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

(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide
CID 59895134
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide (CID 21341484) is (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide is Cc1cc(NC(=O)[C@H](N)CCc2ccccc2)ccc1Cl.
What is the InChIKey of (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide?
The InChIKey is NIJGBOHKLYULTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-11-14(8-9-15(12)18)20-17(21)16(19)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,16H,7,10,19H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide?
(2R)-2-amino-N-(4-chloro-3-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 (2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide is sourced from PubChem (CID 21341484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).