N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide

C22H21ClN2O3 — CID 112986934

IUPACN-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)cc2)cc1OC
InChIInChI=1S/C22H21ClN2O3/c1-27-20-12-7-15(13-21(20)28-2)14-22(26)25-17-10-8-16(9-11-17)24-19-6-4-3-5-18(19)23/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyCIGUZPDQWHUAML-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.28
Rot. Bonds7

About N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 112986934) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID112986934
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC NameN-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)cc2)cc1OC
InChIInChI=1S/C22H21ClN2O3/c1-27-20-12-7-15(13-21(20)28-2)14-22(26)25-17-10-8-16(9-11-17)24-19-6-4-3-5-18(19)23/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyCIGUZPDQWHUAML-UHFFFAOYSA-N
XLogP5.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide
CID 174759764
N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867944
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 112986934) is N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Cl)cc2)cc1OC.
What is the InChIKey of N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is CIGUZPDQWHUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-20-12-7-15(13-21(20)28-2)14-22(26)25-17-10-8-16(9-11-17)24-19-6-4-3-5-18(19)23/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 396.87 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112986934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).