N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide

C14H17Cl2NO — CID 141000204

IUPACN-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C14H17Cl2NO/c1-14(8-3-2-4-9-14)13(18)17-11-7-5-6-10(15)12(11)16/h5-7H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyACXIEGMPQGHTFS-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.90
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide

N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 141000204) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID141000204
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)c2Cl)CCCCC1
InChIInChI=1S/C14H17Cl2NO/c1-14(8-3-2-4-9-14)13(18)17-11-7-5-6-10(15)12(11)16/h5-7H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyACXIEGMPQGHTFS-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
CID 107046344
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
1-carbamothioyl-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 80591786
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide;N-phenylhydroxylamine
CID 174612601
S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-methylcyclohexane-1-carbothioate
CID 22956219
[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]sulfanylformic acid
CID 166817254
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827308

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide (CID 141000204) is N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cccc(Cl)c2Cl)CCCCC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is ACXIEGMPQGHTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-14(8-3-2-4-9-14)13(18)17-11-7-5-6-10(15)12(11)16/h5-7H,2-4,8-9H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide?
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 286.20 g/mol, XLogP of 4.90, 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)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 141000204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).