(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide

C19H23ClN2O3 — CID 8762076

IUPAC(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
SMILESCOc1cc(OC)c(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C19H23ClN2O3/c1-12(14-8-6-5-7-9-14)22-19(23)13(2)21-16-10-15(20)17(24-3)11-18(16)25-4/h5-13,21H,1-4H3,(H,22,23)/t12-,13-/m1/s1
InChIKeyPHKPLLGMDPKCNN-CHWSQXEVSA-N
MW362.86 g/mol
LogP4.03
Rot. Bonds7

About (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide

(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 8762076) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
PubChem CID8762076
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
SMILESCOc1cc(OC)c(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C19H23ClN2O3/c1-12(14-8-6-5-7-9-14)22-19(23)13(2)21-16-10-15(20)17(24-3)11-18(16)25-4/h5-13,21H,1-4H3,(H,22,23)/t12-,13-/m1/s1
InChIKeyPHKPLLGMDPKCNN-CHWSQXEVSA-N
XLogP4.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-phenylethyl)thiourea
CID 19676061
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 35960485
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide
CID 8644871
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide (CID 8762076) is (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide is COc1cc(OC)c(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is PHKPLLGMDPKCNN-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-12(14-8-6-5-7-9-14)22-19(23)13(2)21-16-10-15(20)17(24-3)11-18(16)25-4/h5-13,21H,1-4H3,(H,22,23)/t12-,13-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide?
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 362.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 8762076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).