4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide

C13H16Cl2N2O — CID 54928746

IUPAC4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c14-9-3-6-12(11(15)7-9)17-13(18)8-1-4-10(16)5-2-8/h3,6-8,10H,1-2,4-5,16H2,(H,17,18)
InChIKeyKNBKWCZRJWOLRJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.45
Rot. Bonds2

About 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide

4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide (PubChem CID 54928746) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
PubChem CID54928746
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c14-9-3-6-12(11(15)7-9)17-13(18)8-1-4-10(16)5-2-8/h3,6-8,10H,1-2,4-5,16H2,(H,17,18)
InChIKeyKNBKWCZRJWOLRJ-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
N-(2,4-dichlorophenyl)-4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 98278602
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide (CID 54928746) is 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide?
The InChIKey is KNBKWCZRJWOLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-9-3-6-12(11(15)7-9)17-13(18)8-1-4-10(16)5-2-8/h3,6-8,10H,1-2,4-5,16H2,(H,17,18).
What are the key properties of 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide?
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54928746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).