N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide

C23H19N3O3 — CID 46402705

IUPACN-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H19N3O3/c27-22(15-17-8-10-20(11-9-17)26-12-1-2-13-26)24-18-5-3-6-19(16-18)25-23(28)21-7-4-14-29-21/h1-14,16H,15H2,(H,24,27)(H,25,28)
InChIKeyOCXDQUABDMOPDU-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.50
Rot. Bonds6

About N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 46402705) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID46402705
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H19N3O3/c27-22(15-17-8-10-20(11-9-17)26-12-1-2-13-26)24-18-5-3-6-19(16-18)25-23(28)21-7-4-14-29-21/h1-14,16H,15H2,(H,24,27)(H,25,28)
InChIKeyOCXDQUABDMOPDU-UHFFFAOYSA-N
XLogP4.50
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39678341
tert-butyl N-[4-[2-[3-(furan-2-carbonylamino)anilino]-2-oxoethyl]phenyl]carbamate
CID 46559187
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 86961723
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54814790
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 32708292
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide (CID 46402705) is N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide is O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is OCXDQUABDMOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(15-17-8-10-20(11-9-17)26-12-1-2-13-26)24-18-5-3-6-19(16-18)25-23(28)21-7-4-14-29-21/h1-14,16H,15H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46402705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).