N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide

C21H17ClN2O4 — CID 55932482

IUPACN-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H17ClN2O4/c22-15-8-9-16(17(13-15)24-21(27)19-7-4-12-28-19)23-20(26)11-10-18(25)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,23,26)(H,24,27)
InChIKeyVCYZVHWFHDEQQZ-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.79
Rot. Bonds7

About N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 55932482) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
PubChem CID55932482
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC NameN-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H17ClN2O4/c22-15-8-9-16(17(13-15)24-21(27)19-7-4-12-28-19)23-20(26)11-10-18(25)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,23,26)(H,24,27)
InChIKeyVCYZVHWFHDEQQZ-UHFFFAOYSA-N
XLogP4.79
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982
N-[5-chloro-2-[[2-(4-propanoylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 55812079
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[5-chloro-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 86944385
N-[5-chloro-2-[[3-(dimethylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 55811826
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide (CID 55932482) is N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide is O=C(CCC(=O)c1ccccc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is VCYZVHWFHDEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c22-15-8-9-16(17(13-15)24-21(27)19-7-4-12-28-19)23-20(26)11-10-18(25)14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,23,26)(H,24,27).
What are the key properties of N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55932482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).