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

C18H21ClN2O3 — CID 9106880

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1cc(NCC(=O)N[C@H](C)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-12(13-7-5-4-6-8-13)21-18(22)11-20-15-10-16(23-2)14(19)9-17(15)24-3/h4-10,12,20H,11H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyONXHAHXGDJBNBK-GFCCVEGCSA-N
MW348.83 g/mol
LogP3.65
Rot. Bonds7

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

2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9106880) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9106880
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1cc(NCC(=O)N[C@H](C)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-12(13-7-5-4-6-8-13)21-18(22)11-20-15-10-16(23-2)14(19)9-17(15)24-3/h4-10,12,20H,11H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyONXHAHXGDJBNBK-GFCCVEGCSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
2-(4-chloro-2,5-dimethoxyanilino)-N-phenyl-N-propan-2-ylacetamide
CID 30573201
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 8762076
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide
CID 31054798
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide (CID 9106880) is 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide is COc1cc(NCC(=O)N[C@H](C)c2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is ONXHAHXGDJBNBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12(13-7-5-4-6-8-13)21-18(22)11-20-15-10-16(23-2)14(19)9-17(15)24-3/h4-10,12,20H,11H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9106880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).