N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide

C21H17NO3 — CID 91382877

IUPACN-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12
InChIInChI=1S/C21H17NO3/c1-13-20(18-7-2-3-8-19(18)25-13)21(24)22-12-15-6-4-5-14-11-16(23)9-10-17(14)15/h2-11,23H,12H2,1H3,(H,22,24)
InChIKeyHTMWLAFVTDQGPD-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.53
Rot. Bonds3

About N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide

N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 91382877) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID91382877
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12
InChIInChI=1S/C21H17NO3/c1-13-20(18-7-2-3-8-19(18)25-13)21(24)22-12-15-6-4-5-14-11-16(23)9-10-17(14)15/h2-11,23H,12H2,1H3,(H,22,24)
InChIKeyHTMWLAFVTDQGPD-UHFFFAOYSA-N
XLogP4.53
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-
CID 122566
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
CID 16066144
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
(9as)-8-Acetyl-N-[(3-Ethoxynaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide
CID 56593158
3-[(2R)-2-borono-2-[(2-ethoxynaphthalene-1-carbonyl)amino]ethyl]benzoic acid
CID 71562533
3-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275424
N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]cyclopropanecarboxamide
CID 127026425
N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]acetamide
CID 127029516
2-(4-fluorophenyl)-N-methyl-5-[3-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 53468460
5-[3-[tert-butyl(methyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468654
5-[3-(benzylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468850

Frequently Asked Questions

What is the IUPAC name of N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide (CID 91382877) is N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccccc2c1C(=O)NCc1cccc2cc(O)ccc12.
What is the InChIKey of N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is HTMWLAFVTDQGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-13-20(18-7-2-3-8-19(18)25-13)21(24)22-12-15-6-4-5-14-11-16(23)9-10-17(14)15/h2-11,23H,12H2,1H3,(H,22,24).
What are the key properties of N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide?
N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxynaphthalen-1-yl)methyl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91382877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).