N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide

C13H15Cl2NO2 — CID 112524536

IUPACN-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCC(O)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-2-1-3-11(12(10)15)16-13(18)8-4-6-9(17)7-5-8/h1-3,8-9,17H,4-7H2,(H,16,18)
InChIKeyVLMKVLSAMIKTTI-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.48
Rot. Bonds2

About N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide

N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide (PubChem CID 112524536) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
PubChem CID112524536
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC NameN-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCC(O)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-2-1-3-11(12(10)15)16-13(18)8-4-6-9(17)7-5-8/h1-3,8-9,17H,4-7H2,(H,16,18)
InChIKeyVLMKVLSAMIKTTI-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(2,3-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 6594097
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
N-(2,3-dichlorophenyl)-4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxamide
CID 124713960
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide (CID 112524536) is N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCC(O)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is VLMKVLSAMIKTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-2-1-3-11(12(10)15)16-13(18)8-4-6-9(17)7-5-8/h1-3,8-9,17H,4-7H2,(H,16,18).
What are the key properties of N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide?
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 288.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 112524536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).