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

C14H11ClFNO2 — CID 81461664

IUPAC2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CO)cc1)c1cccc(F)c1Cl
InChIInChI=1S/C14H11ClFNO2/c15-13-11(2-1-3-12(13)16)14(19)17-10-6-4-9(8-18)5-7-10/h1-7,18H,8H2,(H,17,19)
InChIKeyKYLQUACOLHLFRA-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.22
Rot. Bonds3

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

2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide (PubChem CID 81461664) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
PubChem CID81461664
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CO)cc1)c1cccc(F)c1Cl
InChIInChI=1S/C14H11ClFNO2/c15-13-11(2-1-3-12(13)16)14(19)17-10-6-4-9(8-18)5-7-10/h1-7,18H,8H2,(H,17,19)
InChIKeyKYLQUACOLHLFRA-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide (CID 81461664) is 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide is O=C(Nc1ccc(CO)cc1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide?
The InChIKey is KYLQUACOLHLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-13-11(2-1-3-12(13)16)14(19)17-10-6-4-9(8-18)5-7-10/h1-7,18H,8H2,(H,17,19).
What are the key properties of 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide?
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide has a molecular weight of 279.70 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 81461664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).