N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide

C26H22N2O3 — CID 1273131

IUPACN-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O3/c1-26(19-9-4-2-5-10-19,20-11-6-3-7-12-20)25(30)28-22-16-14-21(15-17-22)27-24(29)23-13-8-18-31-23/h2-18H,1H3,(H,27,29)(H,28,30)
InChIKeyKVSZDFKQQKMTLJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.48
Rot. Bonds6

About N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide

N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide (PubChem CID 1273131) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide
PubChem CID1273131
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O3/c1-26(19-9-4-2-5-10-19,20-11-6-3-7-12-20)25(30)28-22-16-14-21(15-17-22)27-24(29)23-13-8-18-31-23/h2-18H,1H3,(H,27,29)(H,28,30)
InChIKeyKVSZDFKQQKMTLJ-UHFFFAOYSA-N
XLogP5.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
CID 43624586
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
3-cyclohexyl-4-[4-(furan-2-carbonylamino)anilino]-3-methyl-4-oxobutanoic acid
CID 119107601
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 119700833
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-[3-(2,2-diphenylpropanoylamino)phenyl]benzamide
CID 2263945

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide (CID 1273131) is N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide is CC(C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is KVSZDFKQQKMTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-26(19-9-4-2-5-10-19,20-11-6-3-7-12-20)25(30)28-22-16-14-21(15-17-22)27-24(29)23-13-8-18-31-23/h2-18H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide?
N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1273131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).