3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide

C22H23FN2O2 — CID 121494998

IUPAC3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
SMILESN#Cc1cc(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)ccc1F
InChIInChI=1S/C22H23FN2O2/c23-21-10-9-17(14-19(21)15-24)16-5-4-6-18(13-16)22(27)25(11-12-26)20-7-2-1-3-8-20/h4-6,9-10,13-14,20,26H,1-3,7-8,11-12H2
InChIKeyKCDANCUZBCLNPN-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.13
Rot. Bonds5

About 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide

3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide (PubChem CID 121494998) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
PubChem CID121494998
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
SMILESN#Cc1cc(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)ccc1F
InChIInChI=1S/C22H23FN2O2/c23-21-10-9-17(14-19(21)15-24)16-5-4-6-18(13-16)22(27)25(11-12-26)20-7-2-1-3-8-20/h4-6,9-10,13-14,20,26H,1-3,7-8,11-12H2
InChIKeyKCDANCUZBCLNPN-UHFFFAOYSA-N
XLogP4.13
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 102861526
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749875

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide (CID 121494998) is 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide is N#Cc1cc(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)ccc1F.
What is the InChIKey of 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is KCDANCUZBCLNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-21-10-9-17(14-19(21)15-24)16-5-4-6-18(13-16)22(27)25(11-12-26)20-7-2-1-3-8-20/h4-6,9-10,13-14,20,26H,1-3,7-8,11-12H2.
What are the key properties of 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 366.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4-fluorophenyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 121494998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).