2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide

C15H13ClFNO2 — CID 107736178

IUPAC2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
SMILESCCN(C(=O)c1ccc(F)cc1Cl)c1cccc(O)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-18(11-4-3-5-12(19)9-11)15(20)13-7-6-10(17)8-14(13)16/h3-9,19H,2H2,1H3
InChIKeyICCRDKHTAMUKQB-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide

2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide (PubChem CID 107736178) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
PubChem CID107736178
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
SMILESCCN(C(=O)c1ccc(F)cc1Cl)c1cccc(O)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-18(11-4-3-5-12(19)9-11)15(20)13-7-6-10(17)8-14(13)16/h3-9,19H,2H2,1H3
InChIKeyICCRDKHTAMUKQB-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107736182
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
N-ethyl-N-(3-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 107736404
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
4-bromo-N-ethyl-2,6-difluoro-N-(3-hydroxyphenyl)benzamide
CID 107735611
N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262
2-chloro-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide (CID 107736178) is 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide is CCN(C(=O)c1ccc(F)cc1Cl)c1cccc(O)c1.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide?
The InChIKey is ICCRDKHTAMUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-2-18(11-4-3-5-12(19)9-11)15(20)13-7-6-10(17)8-14(13)16/h3-9,19H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide?
2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide has a molecular weight of 293.73 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 107736178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).