2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide

C16H12Cl2N2O2 — CID 111831116

IUPAC2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide
SMILESN#Cc1ccccc1C(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-11-5-6-13(14(18)7-11)15(21)9-20-16(22)12-4-2-1-3-10(12)8-19/h1-7,15,21H,9H2,(H,20,22)
InChIKeyHNFZILBMSNVZOX-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.33
Rot. Bonds4

About 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide

2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 111831116) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide
PubChem CID111831116
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide
SMILESN#Cc1ccccc1C(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-11-5-6-13(14(18)7-11)15(21)9-20-16(22)12-4-2-1-3-10(12)8-19/h1-7,15,21H,9H2,(H,20,22)
InChIKeyHNFZILBMSNVZOX-UHFFFAOYSA-N
XLogP3.33
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111115704
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
CID 19777006
3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
CID 111115685
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 71875039
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide (CID 111831116) is 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide is N#Cc1ccccc1C(=O)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is HNFZILBMSNVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-11-5-6-13(14(18)7-11)15(21)9-20-16(22)12-4-2-1-3-10(12)8-19/h1-7,15,21H,9H2,(H,20,22).
What are the key properties of 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide?
2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 335.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 111831116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).