N-(2,3-dichlorophenyl)cyclohexanecarboxamide

C13H15Cl2NO — CID 836509

IUPACN-(2,3-dichlorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-10-7-4-8-11(12(10)15)16-13(17)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyZYPWKRVXNGLEMU-UHFFFAOYSA-N
MW272.17 g/mol
LogP4.51
Rot. Bonds2

About N-(2,3-dichlorophenyl)cyclohexanecarboxamide

N-(2,3-dichlorophenyl)cyclohexanecarboxamide (PubChem CID 836509) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)cyclohexanecarboxamide
PubChem CID836509
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC NameN-(2,3-dichlorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-10-7-4-8-11(12(10)15)16-13(17)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyZYPWKRVXNGLEMU-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-[2-(2-chlorophenoxy)phenyl]cyclohexanecarboxamide
CID 18279329
(3R)-1-cyclopentyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364649
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)cyclohexanecarboxamide (CID 836509) is N-(2,3-dichlorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)cyclohexanecarboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCCCC1.
What is the InChIKey of N-(2,3-dichlorophenyl)cyclohexanecarboxamide?
The InChIKey is ZYPWKRVXNGLEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-10-7-4-8-11(12(10)15)16-13(17)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of N-(2,3-dichlorophenyl)cyclohexanecarboxamide?
N-(2,3-dichlorophenyl)cyclohexanecarboxamide has a molecular weight of 272.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 836509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).