N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C16H16ClN3O5 — CID 9269646

IUPACN-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C16H16ClN3O5/c1-24-12-5-4-10(7-11(12)17)20-15(22)9-18-14(21)8-19-16(23)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyWAINGMCWSUYMHT-UHFFFAOYSA-N
MW365.77 g/mol
LogP1.43
Rot. Bonds7

About N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9269646) has the molecular formula C16H16ClN3O5 and a molecular weight of 365.77 g/mol. Its IUPAC name is N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9269646
Molecular FormulaC16H16ClN3O5
Molecular Weight365.77 g/mol
Exact Mass365.08
IUPAC NameN-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C16H16ClN3O5/c1-24-12-5-4-10(7-11(12)17)20-15(22)9-18-14(21)8-19-16(23)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyWAINGMCWSUYMHT-UHFFFAOYSA-N
XLogP1.43
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715177
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
3-[[2-(3-chloro-4-methoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54819349
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9269646) is N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is COc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1Cl.
What is the InChIKey of N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WAINGMCWSUYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5/c1-24-12-5-4-10(7-11(12)17)20-15(22)9-18-14(21)8-19-16(23)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 365.77 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9269646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).