2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide

C22H25ClN2O2 — CID 91758483

IUPAC2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1Cl)c1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-21(2)18(22(21,3)4)19(26)24-14-11-12-16(17(23)13-14)20(27)25(5)15-9-7-6-8-10-15/h6-13,18H,1-5H3,(H,24,26)
InChIKeyBYVVACLYSQZONR-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.24
Rot. Bonds4

About 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide

2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide (PubChem CID 91758483) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide
PubChem CID91758483
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1Cl)c1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-21(2)18(22(21,3)4)19(26)24-14-11-12-16(17(23)13-14)20(27)25(5)15-9-7-6-8-10-15/h6-13,18H,1-5H3,(H,24,26)
InChIKeyBYVVACLYSQZONR-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide 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-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide
CID 22010862
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-methyl-N-phenylbenzamide
CID 122617932
trans-(1R,3R)-2,2-dimethyl-3-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391491
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
2,4-dichloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230375
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
(1R,2S,3S,4R)-3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98472800
3-[[3-chloro-4-(dimethylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 47704296
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide (CID 91758483) is 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide is CN(C(=O)c1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is BYVVACLYSQZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-21(2)18(22(21,3)4)19(26)24-14-11-12-16(17(23)13-14)20(27)25(5)15-9-7-6-8-10-15/h6-13,18H,1-5H3,(H,24,26).
What are the key properties of 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide?
2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 384.91 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-phenyl-4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 91758483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).