3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide

C13H15Cl3N2O — CID 63042160

IUPAC3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C13H15Cl3N2O/c14-8-5-10(15)12(11(16)6-8)18-13(19)7-2-1-3-9(17)4-7/h5-7,9H,1-4,17H2,(H,18,19)
InChIKeyMQJOJLKGDVIVQP-UHFFFAOYSA-N
MW321.64 g/mol
LogP4.10
Rot. Bonds2

About 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide

3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide (PubChem CID 63042160) has the molecular formula C13H15Cl3N2O and a molecular weight of 321.64 g/mol. Its IUPAC name is 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
PubChem CID63042160
Molecular FormulaC13H15Cl3N2O
Molecular Weight321.64 g/mol
Exact Mass320.02
IUPAC Name3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C13H15Cl3N2O/c14-8-5-10(15)12(11(16)6-8)18-13(19)7-2-1-3-9(17)4-7/h5-7,9H,1-4,17H2,(H,18,19)
InChIKeyMQJOJLKGDVIVQP-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide
CID 63043233
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
cis-(1R,3S)-3-amino-N-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 154700196
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide (CID 63042160) is 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide?
The InChIKey is MQJOJLKGDVIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O/c14-8-5-10(15)12(11(16)6-8)18-13(19)7-2-1-3-9(17)4-7/h5-7,9H,1-4,17H2,(H,18,19).
What are the key properties of 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide?
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide has a molecular weight of 321.64 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).