2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide

C14H13ClN2O3 — CID 106686546

IUPAC2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-12(18)16-9-4-3-5-10(8-9)17-14(19)11-6-7-20-13(11)15/h3-8H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyZIBGJIHSUOKYPF-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide

2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide (PubChem CID 106686546) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
PubChem CID106686546
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-12(18)16-9-4-3-5-10(8-9)17-14(19)11-6-7-20-13(11)15/h3-8H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyZIBGJIHSUOKYPF-UHFFFAOYSA-N
XLogP3.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 46568178
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate
CID 56789409
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
CID 106812415
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide (CID 106686546) is 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide?
The InChIKey is ZIBGJIHSUOKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-12(18)16-9-4-3-5-10(8-9)17-14(19)11-6-7-20-13(11)15/h3-8H,2H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide?
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106686546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).