2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

C14H17ClFNO2 — CID 62520565

IUPAC2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-12-8-10(16)4-5-11(12)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)
InChIKeyRMASBSUROTZJET-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 62520565) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID62520565
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-12-8-10(16)4-5-11(12)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)
InChIKeyRMASBSUROTZJET-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 114314847
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (CID 62520565) is 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1(CO)CCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is RMASBSUROTZJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-8-10(16)4-5-11(12)13(19)17-14(9-18)6-2-1-3-7-14/h4-5,8,18H,1-3,6-7,9H2,(H,17,19).
What are the key properties of 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 285.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 62520565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).