N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide

C16H17ClN2O3 — CID 28867944

IUPACN-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(N)ccc2Cl)cc1OC
InChIInChI=1S/C16H17ClN2O3/c1-21-14-6-3-10(7-15(14)22-2)8-16(20)19-13-9-11(18)4-5-12(13)17/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyXMCQUYUCRWIUQE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.12
Rot. Bonds5

About N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 28867944) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID28867944
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(N)ccc2Cl)cc1OC
InChIInChI=1S/C16H17ClN2O3/c1-21-14-6-3-10(7-15(14)22-2)8-16(20)19-13-9-11(18)4-5-12(13)17/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyXMCQUYUCRWIUQE-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-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698887
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
2-(3,4-dimethoxyphenyl)-N-[4-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]acetamide
CID 2953970

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 28867944) is N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(N)ccc2Cl)cc1OC.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is XMCQUYUCRWIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-14-6-3-10(7-15(14)22-2)8-16(20)19-13-9-11(18)4-5-12(13)17/h3-7,9H,8,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)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 N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 28867944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).