2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide

C22H18ClFN2O2 — CID 169418590

IUPAC2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cc(F)cc(C(=O)Nc3ccccc3C)c2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O2/c1-13-5-3-4-6-20(13)26-21(27)16-9-15(10-17(24)11-16)14-7-8-19(23)18(12-14)22(28)25-2/h3-12H,1-2H3,(H,25,28)(H,26,27)
InChIKeyDFTZYEGLWPSYQG-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.07
Rot. Bonds4

About 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide

2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide (PubChem CID 169418590) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide
PubChem CID169418590
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cc(F)cc(C(=O)Nc3ccccc3C)c2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O2/c1-13-5-3-4-6-20(13)26-21(27)16-9-15(10-17(24)11-16)14-7-8-19(23)18(12-14)22(28)25-2/h3-12H,1-2H3,(H,25,28)(H,26,27)
InChIKeyDFTZYEGLWPSYQG-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
CID 171463767
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
1-N-benzyl-4-chloro-6-fluoro-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 171345378
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide (CID 169418590) is 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide is CNC(=O)c1cc(-c2cc(F)cc(C(=O)Nc3ccccc3C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide?
The InChIKey is DFTZYEGLWPSYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-13-5-3-4-6-20(13)26-21(27)16-9-15(10-17(24)11-16)14-7-8-19(23)18(12-14)22(28)25-2/h3-12H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide?
2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide has a molecular weight of 396.85 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-fluoro-5-[(2-methylphenyl)carbamoyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 169418590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).