N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide

C21H16ClFN2O2 — CID 55900045

IUPACN-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C21H16ClFN2O2/c1-13-18(24-20(26)14-6-3-2-4-7-14)8-5-9-19(13)25-21(27)16-11-10-15(23)12-17(16)22/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyGTSNAIYICYUHRX-UHFFFAOYSA-N
MW382.82 g/mol
LogP5.29
Rot. Bonds4

About N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide

N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide (PubChem CID 55900045) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
PubChem CID55900045
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC NameN-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C21H16ClFN2O2/c1-13-18(24-20(26)14-6-3-2-4-7-14)8-5-9-19(13)25-21(27)16-11-10-15(23)12-17(16)22/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyGTSNAIYICYUHRX-UHFFFAOYSA-N
XLogP5.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.82
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide (CID 55900045) is N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide is Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide?
The InChIKey is GTSNAIYICYUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c1-13-18(24-20(26)14-6-3-2-4-7-14)8-5-9-19(13)25-21(27)16-11-10-15(23)12-17(16)22/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide?
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide has a molecular weight of 382.82 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 55900045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).