4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide

C20H19N3O3 — CID 54842827

IUPAC4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-19(23-17-5-2-1-3-6-17)14-21-16-10-8-15(9-11-16)20(25)22-13-18-7-4-12-26-18/h1-12,21H,13-14H2,(H,22,25)(H,23,24)
InChIKeySWASDAFNEADSDM-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.26
Rot. Bonds7

About 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide

4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54842827) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54842827
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-19(23-17-5-2-1-3-6-17)14-21-16-10-8-15(9-11-16)20(25)22-13-18-7-4-12-26-18/h1-12,21H,13-14H2,(H,22,25)(H,23,24)
InChIKeySWASDAFNEADSDM-UHFFFAOYSA-N
XLogP3.26
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842807
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide (CID 54842827) is 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide is O=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SWASDAFNEADSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(23-17-5-2-1-3-6-17)14-21-16-10-8-15(9-11-16)20(25)22-13-18-7-4-12-26-18/h1-12,21H,13-14H2,(H,22,25)(H,23,24).
What are the key properties of 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide?
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54842827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).