4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide

C14H19ClN2O — CID 54928602

IUPAC4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C14H19ClN2O/c1-9-2-5-11(15)8-13(9)17-14(18)10-3-6-12(16)7-4-10/h2,5,8,10,12H,3-4,6-7,16H2,1H3,(H,17,18)
InChIKeyGBSHVXGWMPEOAD-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.10
Rot. Bonds2

About 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide

4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 54928602) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID54928602
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C14H19ClN2O/c1-9-2-5-11(15)8-13(9)17-14(18)10-3-6-12(16)7-4-10/h2,5,8,10,12H,3-4,6-7,16H2,1H3,(H,17,18)
InChIKeyGBSHVXGWMPEOAD-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide (CID 54928602) is 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is GBSHVXGWMPEOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-2-5-11(15)8-13(9)17-14(18)10-3-6-12(16)7-4-10/h2,5,8,10,12H,3-4,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54928602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).