(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide

C20H25ClN2O3 — CID 8644871

IUPAC(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](Nc1cc(Cl)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-5-23(6-2)20(24)19(14-10-8-7-9-11-14)22-16-12-15(21)17(25-3)13-18(16)26-4/h7-13,19,22H,5-6H2,1-4H3/t19-/m1/s1
InChIKeyQBCPASBOQWLOIL-LJQANCHMSA-N
MW376.88 g/mol
LogP4.38
Rot. Bonds8

About (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide

(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide (PubChem CID 8644871) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide
PubChem CID8644871
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](Nc1cc(Cl)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C20H25ClN2O3/c1-5-23(6-2)20(24)19(14-10-8-7-9-11-14)22-16-12-15(21)17(25-3)13-18(16)26-4/h7-13,19,22H,5-6H2,1-4H3/t19-/m1/s1
InChIKeyQBCPASBOQWLOIL-LJQANCHMSA-N
XLogP4.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
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

(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 8762076
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24565249
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
CID 110287113
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
CID 110287066
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide (CID 8644871) is (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)[C@H](Nc1cc(Cl)c(OC)cc1OC)c1ccccc1.
What is the InChIKey of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide?
The InChIKey is QBCPASBOQWLOIL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-5-23(6-2)20(24)19(14-10-8-7-9-11-14)22-16-12-15(21)17(25-3)13-18(16)26-4/h7-13,19,22H,5-6H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide?
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N,N-diethyl-2-phenylacetamide has a molecular weight of 376.88 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 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,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 8644871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).