3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide

C21H23ClN4O3 — CID 38171779

IUPAC3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-26(13-20(28)25-18-8-3-2-7-17(18)22)12-19(27)23-16-6-4-5-14(11-16)21(29)24-15-9-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,23,27)(H,24,29)(H,25,28)
InChIKeyHINOHYBBIHBTNZ-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.74
Rot. Bonds8

About 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 38171779) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID38171779
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-26(13-20(28)25-18-8-3-2-7-17(18)22)12-19(27)23-16-6-4-5-14(11-16)21(29)24-15-9-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,23,27)(H,24,29)(H,25,28)
InChIKeyHINOHYBBIHBTNZ-UHFFFAOYSA-N
XLogP2.74
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide 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

3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 18287366
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfonylphenyl)acetamide
CID 8844143
3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
CID 164603585
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 18127274
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 38171779) is 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide is CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is HINOHYBBIHBTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-26(13-20(28)25-18-8-3-2-7-17(18)22)12-19(27)23-16-6-4-5-14(11-16)21(29)24-15-9-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,23,27)(H,24,29)(H,25,28).
What are the key properties of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 414.89 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 38171779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).