5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide

C18H15ClN2O2 — CID 91679615

IUPAC5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-21(13-5-3-2-4-6-13)18(22)17-10-9-16(23-17)14-8-7-12(20)11-15(14)19/h2-11H,20H2,1H3
InChIKeyRARQRVSFPXSPLN-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.46
Rot. Bonds3

About 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide

5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide (PubChem CID 91679615) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide
PubChem CID91679615
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-21(13-5-3-2-4-6-13)18(22)17-10-9-16(23-17)14-8-7-12(20)11-15(14)19/h2-11H,20H2,1H3
InChIKeyRARQRVSFPXSPLN-UHFFFAOYSA-N
XLogP4.46
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.46
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

methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
CID 7175940
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687739
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804516
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507
5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide
CID 82109894
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
methyl 5-(5-amino-2-chlorophenyl)furan-2-carboxylate
CID 16762246
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
5-(3-aminophenyl)-N-ethyl-N-phenylfuran-2-carboxamide
CID 91679621
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide (CID 91679615) is 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide is CN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)c1ccccc1.
What is the InChIKey of 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide?
The InChIKey is RARQRVSFPXSPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-21(13-5-3-2-4-6-13)18(22)17-10-9-16(23-17)14-8-7-12(20)11-15(14)19/h2-11H,20H2,1H3.
What are the key properties of 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide?
5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 91679615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).