(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide

C16H17ClN2O — CID 121266437

IUPAC(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C16H17ClN2O/c1-11(16(18)20)19-10-12-2-4-13(5-3-12)14-6-8-15(17)9-7-14/h2-9,11,19H,10H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyFTZMYIIZVDLFMT-NSHDSACASA-N
MW288.78 g/mol
LogP2.97
Rot. Bonds5

About (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide

(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide (PubChem CID 121266437) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
PubChem CID121266437
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C16H17ClN2O/c1-11(16(18)20)19-10-12-2-4-13(5-3-12)14-6-8-15(17)9-7-14/h2-9,11,19H,10H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyFTZMYIIZVDLFMT-NSHDSACASA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
methanesulfonic acid;(2S)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
CID 154730643
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]hexanoic acid
CID 122044665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide (CID 121266437) is (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide is C[C@H](NCc1ccc(-c2ccc(Cl)cc2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide?
The InChIKey is FTZMYIIZVDLFMT-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(16(18)20)19-10-12-2-4-13(5-3-12)14-6-8-15(17)9-7-14/h2-9,11,19H,10H2,1H3,(H2,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide?
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide has a molecular weight of 288.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 121266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).