4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide

C19H22ClN3O2 — CID 119712519

IUPAC4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-3-23(4-2)19(25)16-10-9-15(12-17(16)20)22-18(24)11-13-5-7-14(21)8-6-13/h5-10,12H,3-4,11,21H2,1-2H3,(H,22,24)
InChIKeyLAHBOTCUQYCJND-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.59
Rot. Bonds6

About 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide

4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide (PubChem CID 119712519) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
PubChem CID119712519
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-3-23(4-2)19(25)16-10-9-15(12-17(16)20)22-18(24)11-13-5-7-14(21)8-6-13/h5-10,12H,3-4,11,21H2,1-2H3,(H,22,24)
InChIKeyLAHBOTCUQYCJND-UHFFFAOYSA-N
XLogP3.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide 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-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34747067
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 34745595
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
2-chloro-4-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 46436791
N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 34746637
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide (CID 119712519) is 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl.
What is the InChIKey of 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide?
The InChIKey is LAHBOTCUQYCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-23(4-2)19(25)16-10-9-15(12-17(16)20)22-18(24)11-13-5-7-14(21)8-6-13/h5-10,12H,3-4,11,21H2,1-2H3,(H,22,24).
What are the key properties of 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide?
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide is sourced from PubChem (CID 119712519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).