N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide

C17H19ClN2O4 — CID 109008835

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C17H19ClN2O4/c1-22-14-6-5-12(8-13(14)18)20-17(21)10-19-11-4-7-15(23-2)16(9-11)24-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyBWWAYZDAWCLNNB-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.42
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide (PubChem CID 109008835) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
PubChem CID109008835
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C17H19ClN2O4/c1-22-14-6-5-12(8-13(14)18)20-17(21)10-19-11-4-7-15(23-2)16(9-11)24-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyBWWAYZDAWCLNNB-UHFFFAOYSA-N
XLogP3.42
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide (CID 109008835) is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide is COc1ccc(NC(=O)CNc2ccc(OC)c(OC)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide?
The InChIKey is BWWAYZDAWCLNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-22-14-6-5-12(8-13(14)18)20-17(21)10-19-11-4-7-15(23-2)16(9-11)24-3/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide has a molecular weight of 350.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 109008835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).