N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide

C26H23N3O3 — CID 55759056

IUPACN-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H23N3O3/c1-29(21-8-3-2-4-9-21)23-11-6-5-10-22(23)25(30)27-18-19-13-15-20(16-14-19)28-26(31)24-12-7-17-32-24/h2-17H,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyGHUXMKGWTGJWSO-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.23
Rot. Bonds7

About N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 55759056) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID55759056
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H23N3O3/c1-29(21-8-3-2-4-9-21)23-11-6-5-10-22(23)25(30)27-18-19-13-15-20(16-14-19)28-26(31)24-12-7-17-32-24/h2-17H,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyGHUXMKGWTGJWSO-UHFFFAOYSA-N
XLogP5.23
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 111040414
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide (CID 55759056) is N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide is CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is GHUXMKGWTGJWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-29(21-8-3-2-4-9-21)23-11-6-5-10-22(23)25(30)27-18-19-13-15-20(16-14-19)28-26(31)24-12-7-17-32-24/h2-17H,18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55759056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).