N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C24H25ClN2O4 — CID 46600099

IUPACN-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C24H25ClN2O4/c1-16(2)15-31-21-11-10-18(14-19(21)25)26-23(28)20(13-17-7-4-3-5-8-17)27-24(29)22-9-6-12-30-22/h3-12,14,16,20H,13,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWXUFHXFUKJPDLX-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.95
Rot. Bonds9

About N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 46600099) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID46600099
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC NameN-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C24H25ClN2O4/c1-16(2)15-31-21-11-10-18(14-19(21)25)26-23(28)20(13-17-7-4-3-5-8-17)27-24(29)22-9-6-12-30-22/h3-12,14,16,20H,13,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWXUFHXFUKJPDLX-UHFFFAOYSA-N
XLogP4.95
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
N-[(2S)-1-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 98396248
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24576002
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 46600099) is N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CC(C)COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1Cl.
What is the InChIKey of N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is WXUFHXFUKJPDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-16(2)15-31-21-11-10-18(14-19(21)25)26-23(28)20(13-17-7-4-3-5-8-17)27-24(29)22-9-6-12-30-22/h3-12,14,16,20H,13,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46600099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).