N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide

C16H21Cl2NO — CID 110441759

IUPACN-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(NC(=O)C1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c1-16(2,13-9-8-12(17)10-14(13)18)19-15(20)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,19,20)
InChIKeyCEFUTGHMSKULHP-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.93
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide

N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide (PubChem CID 110441759) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide
PubChem CID110441759
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC NameN-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide
SMILESCC(C)(NC(=O)C1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c1-16(2,13-9-8-12(17)10-14(13)18)19-15(20)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,19,20)
InChIKeyCEFUTGHMSKULHP-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)propan-2-yl]oxolane-2-carboxamide
CID 110444555
(3S)-N-[2-(4-chloro-2-phenylphenyl)propan-2-yl]-1-methylpiperidine-3-carboxamide
CID 122450616
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
CID 110445693
N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
CID 113091859
2-(azepan-1-yl)-2-(2,4-dichlorophenyl)propanoic acid
CID 61058559
N-[2-(2,4-dichlorophenyl)propan-2-yl]-2-(4-fluorophenyl)acetamide
CID 110440041
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237610
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119339810
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149558
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide (CID 110441759) is N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide is CC(C)(NC(=O)C1CCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is CEFUTGHMSKULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-16(2,13-9-8-12(17)10-14(13)18)19-15(20)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide?
N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 314.26 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 110441759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).