4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide

C18H18ClN3O3 — CID 52704961

IUPAC4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)cc1Cl
InChIInChI=1S/C18H18ClN3O3/c1-11(23)12-4-3-5-14(8-12)22-17(24)10-21-13-6-7-15(16(19)9-13)18(25)20-2/h3-9,21H,10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyGDFHSZMGKQYCJJ-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.95
Rot. Bonds6

About 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide

4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide (PubChem CID 52704961) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
PubChem CID52704961
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)cc1Cl
InChIInChI=1S/C18H18ClN3O3/c1-11(23)12-4-3-5-14(8-12)22-17(24)10-21-13-6-7-15(16(19)9-13)18(25)20-2/h3-9,21H,10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyGDFHSZMGKQYCJJ-UHFFFAOYSA-N
XLogP2.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide 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-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782
2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
CID 55917443
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide?
The IUPAC name of 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide (CID 52704961) is 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide?
The canonical SMILES for 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide is CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(C)=O)c2)cc1Cl.
What is the InChIKey of 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide?
The InChIKey is GDFHSZMGKQYCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11(23)12-4-3-5-14(8-12)22-17(24)10-21-13-6-7-15(16(19)9-13)18(25)20-2/h3-9,21H,10H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide?
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide has a molecular weight of 359.81 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 52704961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).