N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

C22H18ClFN2O2 — CID 38953535

IUPACN-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H18ClFN2O2/c1-13-10-11-15(21(27)25-19-9-5-7-17(23)14(19)2)12-20(13)26-22(28)16-6-3-4-8-18(16)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKJHXITPMFPFBTI-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.60
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 38953535) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID38953535
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H18ClFN2O2/c1-13-10-11-15(21(27)25-19-9-5-7-17(23)14(19)2)12-20(13)26-22(28)16-6-3-4-8-18(16)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKJHXITPMFPFBTI-UHFFFAOYSA-N
XLogP5.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide 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-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
N-(3-chloro-2-methylphenyl)-4-(2-fluoroanilino)sulfanylbenzamide
CID 170977316
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 97249445
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
CID 22291047
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (CID 38953535) is N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is KJHXITPMFPFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-13-10-11-15(21(27)25-19-9-5-7-17(23)14(19)2)12-20(13)26-22(28)16-6-3-4-8-18(16)24/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 396.85 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 38953535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).