4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C16H23ClN2O — CID 102628230

IUPAC4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C16H23ClN2O/c1-10-14(18)9-8-13(16(10,2)3)15(20)19-12-6-4-11(17)5-7-12/h4-7,10,13-14H,8-9,18H2,1-3H3,(H,19,20)
InChIKeyQPPSWSICFZJUPO-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.68
Rot. Bonds2

About 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628230) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628230
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C16H23ClN2O/c1-10-14(18)9-8-13(16(10,2)3)15(20)19-12-6-4-11(17)5-7-12/h4-7,10,13-14H,8-9,18H2,1-3H3,(H,19,20)
InChIKeyQPPSWSICFZJUPO-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-chloro-4-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628313
4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 102628272
4-amino-N-(3-bromo-4-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629220
4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628190
4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628262
4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628908
4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide
CID 102629106
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106175418
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628230) is 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)Nc2ccc(Cl)cc2)C1(C)C.
What is the InChIKey of 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is QPPSWSICFZJUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-10-14(18)9-8-13(16(10,2)3)15(20)19-12-6-4-11(17)5-7-12/h4-7,10,13-14H,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).