2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide

C16H17ClN2O3 — CID 99987219

IUPAC2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide
SMILESCOc1cc(N)c(CC(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H17ClN2O3/c1-21-14-7-10(13(18)9-15(14)22-2)8-16(20)19-12-5-3-11(17)4-6-12/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyMZXHZWWQQKOVKF-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide

2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide (PubChem CID 99987219) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide
PubChem CID99987219
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide
SMILESCOc1cc(N)c(CC(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H17ClN2O3/c1-21-14-7-10(13(18)9-15(14)22-2)8-16(20)19-12-5-3-11(17)4-6-12/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyMZXHZWWQQKOVKF-UHFFFAOYSA-N
XLogP3.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
2-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15907736
2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
CID 154144310
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9241198
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide (CID 99987219) is 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide is COc1cc(N)c(CC(=O)Nc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide?
The InChIKey is MZXHZWWQQKOVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-14-7-10(13(18)9-15(14)22-2)8-16(20)19-12-5-3-11(17)4-6-12/h3-7,9H,8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide?
2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 99987219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).