N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide

C23H21N3O3 — CID 58930472

IUPACN-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CNc2ccc3oc(C(=O)Nc4ccccc4N)cc3c2)c1
InChIInChI=1S/C23H21N3O3/c1-28-18-6-4-5-15(11-18)14-25-17-9-10-21-16(12-17)13-22(29-21)23(27)26-20-8-3-2-7-19(20)24/h2-13,25H,14,24H2,1H3,(H,26,27)
InChIKeyMRCRCRDOJQLPLG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.89
Rot. Bonds6

About N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide

N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide (PubChem CID 58930472) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
PubChem CID58930472
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CNc2ccc3oc(C(=O)Nc4ccccc4N)cc3c2)c1
InChIInChI=1S/C23H21N3O3/c1-28-18-6-4-5-15(11-18)14-25-17-9-10-21-16(12-17)13-22(29-21)23(27)26-20-8-3-2-7-19(20)24/h2-13,25H,14,24H2,1H3,(H,26,27)
InChIKeyMRCRCRDOJQLPLG-UHFFFAOYSA-N
XLogP4.89
TPSA89.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide
CID 58930599
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
N-[2-amino-6-[(3-methoxyphenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 110178844
4-[[2-amino-4-[(3-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2-aminophenyl)benzamide
CID 162670161
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 30956846
N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194096
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide (CID 58930472) is N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide is COc1cccc(CNc2ccc3oc(C(=O)Nc4ccccc4N)cc3c2)c1.
What is the InChIKey of N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide?
The InChIKey is MRCRCRDOJQLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-18-6-4-5-15(11-18)14-25-17-9-10-21-16(12-17)13-22(29-21)23(27)26-20-8-3-2-7-19(20)24/h2-13,25H,14,24H2,1H3,(H,26,27).
What are the key properties of N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide?
N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58930472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).