N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide

C21H19N3O4 — CID 55853540

IUPACN-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H19N3O4/c1-24(14-19(25)22-16-8-3-2-4-9-16)21(27)15-7-5-10-17(13-15)23-20(26)18-11-6-12-28-18/h2-13H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyUZAPWEQIVWTKQQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.24
Rot. Bonds6

About N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55853540) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55853540
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H19N3O4/c1-24(14-19(25)22-16-8-3-2-4-9-16)21(27)15-7-5-10-17(13-15)23-20(26)18-11-6-12-28-18/h2-13H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyUZAPWEQIVWTKQQ-UHFFFAOYSA-N
XLogP3.24
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55822667
N-[3-[furan-2-ylmethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55870410
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55840397

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55853540) is N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is UZAPWEQIVWTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-24(14-19(25)22-16-8-3-2-4-9-16)21(27)15-7-5-10-17(13-15)23-20(26)18-11-6-12-28-18/h2-13H,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55853540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).