(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide

C19H21ClN2O3 — CID 2564213

IUPAC(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-12-9-17(18(25-3)10-15(12)20)22-19(24)11-16(21-13(2)23)14-7-5-4-6-8-14/h4-10,16H,11H2,1-3H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyKSPKFFSRKYVKNG-INIZCTEOSA-N
MW360.84 g/mol
LogP3.86
Rot. Bonds6

About (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide

(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide (PubChem CID 2564213) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
PubChem CID2564213
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-12-9-17(18(25-3)10-15(12)20)22-19(24)11-16(21-13(2)23)14-7-5-4-6-8-14/h4-10,16H,11H2,1-3H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyKSPKFFSRKYVKNG-INIZCTEOSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 112772747
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
CID 78804763
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide (CID 2564213) is (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide is COc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(C)=O)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is KSPKFFSRKYVKNG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-9-17(18(25-3)10-15(12)20)22-19(24)11-16(21-13(2)23)14-7-5-4-6-8-14/h4-10,16H,11H2,1-3H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide?
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 360.84 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2564213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).