3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide

C15H13ClFNO2 — CID 81002508

IUPAC3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO2/c16-13-3-1-2-12(14(13)17)15(20)18-11-6-4-10(5-7-11)8-9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyMQVPTDGCBQVNNZ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.27
Rot. Bonds4

About 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide

3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide (PubChem CID 81002508) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
PubChem CID81002508
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO2/c16-13-3-1-2-12(14(13)17)15(20)18-11-6-4-10(5-7-11)8-9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyMQVPTDGCBQVNNZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
CID 75381688
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide (CID 81002508) is 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide is O=C(Nc1ccc(CCO)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The InChIKey is MQVPTDGCBQVNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-3-1-2-12(14(13)17)15(20)18-11-6-4-10(5-7-11)8-9-19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide has a molecular weight of 293.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 81002508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).