4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide

C14H19ClN2O2 — CID 54928597

IUPAC4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-13-7-6-11(8-12(13)15)17-14(18)9-2-4-10(16)5-3-9/h6-10H,2-5,16H2,1H3,(H,17,18)
InChIKeyKOUCZKYUASBECP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.80
Rot. Bonds3

About 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide

4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 54928597) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID54928597
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-13-7-6-11(8-12(13)15)17-14(18)9-2-4-10(16)5-3-9/h6-10H,2-5,16H2,1H3,(H,17,18)
InChIKeyKOUCZKYUASBECP-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide (CID 54928597) is 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(N)CC2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is KOUCZKYUASBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-7-6-11(8-12(13)15)17-14(18)9-2-4-10(16)5-3-9/h6-10H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54928597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).