5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide

C19H22ClN3O2 — CID 3943330

IUPAC5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N(C)C
InChIInChI=1S/C19H22ClN3O2/c1-4-11-21-19(25)16-12-15(9-10-17(16)23(2)3)22-18(24)13-5-7-14(20)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNNRUUOBTCFAGSQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.80
Rot. Bonds6

About 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide

5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide (PubChem CID 3943330) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
PubChem CID3943330
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N(C)C
InChIInChI=1S/C19H22ClN3O2/c1-4-11-21-19(25)16-12-15(9-10-17(16)23(2)3)22-18(24)13-5-7-14(20)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNNRUUOBTCFAGSQ-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide 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

5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide
CID 3297823
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
CID 42747741
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide (CID 3943330) is 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N(C)C.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
The InChIKey is NNRUUOBTCFAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-4-11-21-19(25)16-12-15(9-10-17(16)23(2)3)22-18(24)13-5-7-14(20)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide has a molecular weight of 359.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide is sourced from PubChem (CID 3943330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).