2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide

C22H22ClN3O2 — CID 55675331

IUPAC2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14-5-6-15(2)26(14)18-10-7-16(8-11-18)21(27)24-17-9-12-20(23)19(13-17)22(28)25(3)4/h5-13H,1-4H3,(H,24,27)
InChIKeyKMSVGLAZJDTFMO-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.70
Rot. Bonds4

About 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide

2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 55675331) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID55675331
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14-5-6-15(2)26(14)18-10-7-16(8-11-18)21(27)24-17-9-12-20(23)19(13-17)22(28)25(3)4/h5-13H,1-4H3,(H,24,27)
InChIKeyKMSVGLAZJDTFMO-UHFFFAOYSA-N
XLogP4.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide 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-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 86983037
2-chloro-5-[(3,5-dimethoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 55674801
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4785014
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55674381
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide (CID 55675331) is 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide is Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is KMSVGLAZJDTFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-5-6-15(2)26(14)18-10-7-16(8-11-18)21(27)24-17-9-12-20(23)19(13-17)22(28)25(3)4/h5-13H,1-4H3,(H,24,27).
What are the key properties of 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide?
2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 395.89 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55675331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).