5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide

C18H21ClN2O2 — CID 91679597

IUPAC5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)C1CCCCC1
InChIInChI=1S/C18H21ClN2O2/c1-21(13-5-3-2-4-6-13)18(22)17-10-9-16(23-17)14-8-7-12(19)11-15(14)20/h7-11,13H,2-6,20H2,1H3
InChIKeyKPDDFUBBXWWXGW-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.59
Rot. Bonds3

About 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide

5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide (PubChem CID 91679597) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide
PubChem CID91679597
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)C1CCCCC1
InChIInChI=1S/C18H21ClN2O2/c1-21(13-5-3-2-4-6-13)18(22)17-10-9-16(23-17)14-8-7-12(19)11-15(14)20/h7-11,13H,2-6,20H2,1H3
InChIKeyKPDDFUBBXWWXGW-UHFFFAOYSA-N
XLogP4.59
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-amino-4-methoxyphenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 91679599
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
N-cyclohexyl-N-methyl-5-sulfamoylfuran-2-carboxamide
CID 47323040
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
N-cyclooctyl-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
CID 71934799
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
CID 69376073
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide (CID 91679597) is 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)C1CCCCC1.
What is the InChIKey of 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide?
The InChIKey is KPDDFUBBXWWXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(13-5-3-2-4-6-13)18(22)17-10-9-16(23-17)14-8-7-12(19)11-15(14)20/h7-11,13H,2-6,20H2,1H3.
What are the key properties of 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide?
5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-chlorophenyl)-N-cyclohexyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 91679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).