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

C17H16ClFN2O2 — CID 131939887

IUPACN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
SMILESCCNC(=O)c1cc(NC(=O)c2cccc(C)c2F)ccc1Cl
InChIInChI=1S/C17H16ClFN2O2/c1-3-20-16(22)13-9-11(7-8-14(13)18)21-17(23)12-6-4-5-10(2)15(12)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAGOIEGZZNAMTHU-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.79
Rot. Bonds4

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

N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide (PubChem CID 131939887) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
PubChem CID131939887
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
SMILESCCNC(=O)c1cc(NC(=O)c2cccc(C)c2F)ccc1Cl
InChIInChI=1S/C17H16ClFN2O2/c1-3-20-16(22)13-9-11(7-8-14(13)18)21-17(23)12-6-4-5-10(2)15(12)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAGOIEGZZNAMTHU-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide
CID 131944998
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide (CID 131939887) is N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide is CCNC(=O)c1cc(NC(=O)c2cccc(C)c2F)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide?
The InChIKey is AGOIEGZZNAMTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-3-20-16(22)13-9-11(7-8-14(13)18)21-17(23)12-6-4-5-10(2)15(12)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide?
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.79, 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-fluoro-3-methylbenzamide is sourced from PubChem (CID 131939887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).