N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide

C19H19N3O3 — CID 41448519

IUPACN-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
SMILESNc1ccccc1C(=O)NCCCNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O3/c20-15-8-3-2-7-14(15)18(23)21-10-5-11-22-19(24)17-12-13-6-1-4-9-16(13)25-17/h1-4,6-9,12H,5,10-11,20H2,(H,21,23)(H,22,24)
InChIKeyBDRBUDYMAASWJR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.56
Rot. Bonds6

About N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide

N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide (PubChem CID 41448519) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
PubChem CID41448519
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
SMILESNc1ccccc1C(=O)NCCCNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O3/c20-15-8-3-2-7-14(15)18(23)21-10-5-11-22-19(24)17-12-13-6-1-4-9-16(13)25-17/h1-4,6-9,12H,5,10-11,20H2,(H,21,23)(H,22,24)
InChIKeyBDRBUDYMAASWJR-UHFFFAOYSA-N
XLogP2.56
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 6493124
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8781761

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide (CID 41448519) is N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide is Nc1ccccc1C(=O)NCCCNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide?
The InChIKey is BDRBUDYMAASWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-15-8-3-2-7-14(15)18(23)21-10-5-11-22-19(24)17-12-13-6-1-4-9-16(13)25-17/h1-4,6-9,12H,5,10-11,20H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide?
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41448519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).