N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

C21H19ClN2O3 — CID 5343907

IUPACN-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-2-3-20(25)23-16-8-10-17(11-9-16)24-21(26)19-13-12-18(27-19)14-4-6-15(22)7-5-14/h4-13H,2-3H2,1H3,(H,23,25)(H,24,26)
InChIKeyGAKPKQQGUWUBPA-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.59
Rot. Bonds6

About N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 5343907) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID5343907
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-2-3-20(25)23-16-8-10-17(11-9-16)24-21(26)19-13-12-18(27-19)14-4-6-15(22)7-5-14/h4-13H,2-3H2,1H3,(H,23,25)(H,24,26)
InChIKeyGAKPKQQGUWUBPA-UHFFFAOYSA-N
XLogP5.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061
N-[4-(acetylcarbamothioylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5230073
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
5-(4-chlorophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115611
5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 1227268
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2002810
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 5343907) is N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is GAKPKQQGUWUBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-2-3-20(25)23-16-8-10-17(11-9-16)24-21(26)19-13-12-18(27-19)14-4-6-15(22)7-5-14/h4-13H,2-3H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 5343907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).