N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide

C17H15ClF2N2O2 — CID 131944998

IUPACN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(NC(=O)c2ccc(C)c(F)c2F)ccc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c1-3-21-16(23)12-8-10(5-7-13(12)18)22-17(24)11-6-4-9(2)14(19)15(11)20/h4-8H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXVHGEBRWOBWHHV-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.93
Rot. Bonds4

About N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide

N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide (PubChem CID 131944998) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide
PubChem CID131944998
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(NC(=O)c2ccc(C)c(F)c2F)ccc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c1-3-21-16(23)12-8-10(5-7-13(12)18)22-17(24)11-6-4-9(2)14(19)15(11)20/h4-8H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXVHGEBRWOBWHHV-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
CID 131939887
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-ethylbenzamide
CID 131910931
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131937130
2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
CID 122632735
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide (CID 131944998) is N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide is CCNC(=O)c1cc(NC(=O)c2ccc(C)c(F)c2F)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide?
The InChIKey is XVHGEBRWOBWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-3-21-16(23)12-8-10(5-7-13(12)18)22-17(24)11-6-4-9(2)14(19)15(11)20/h4-8H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide?
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide has a molecular weight of 352.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide is sourced from PubChem (CID 131944998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).