N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide

C17H14N2O5 — CID 87893797

IUPACN-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide
SMILESCOc1ccc(NC(=O)N(C=O)c2ccc3c(c2)C(=O)CO3)cc1
InChIInChI=1S/C17H14N2O5/c1-23-13-5-2-11(3-6-13)18-17(22)19(10-20)12-4-7-16-14(8-12)15(21)9-24-16/h2-8,10H,9H2,1H3,(H,18,22)
InChIKeyJXFWDMXVWCSLFD-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.47
Rot. Bonds4

About N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide

N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide (PubChem CID 87893797) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide
PubChem CID87893797
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC NameN-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide
SMILESCOc1ccc(NC(=O)N(C=O)c2ccc3c(c2)C(=O)CO3)cc1
InChIInChI=1S/C17H14N2O5/c1-23-13-5-2-11(3-6-13)18-17(22)19(10-20)12-4-7-16-14(8-12)15(21)9-24-16/h2-8,10H,9H2,1H3,(H,18,22)
InChIKeyJXFWDMXVWCSLFD-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)carbamoyl]-N-naphthalen-2-ylformamide
CID 173223898
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
6-(4-methoxyanilino)-2,3-dihydrochromen-4-one
CID 164680994
(3-oxo-1-benzofuran-5-yl) N-methylcarbamate
CID 57443592
6-methoxy-1-benzofuran-3-one
CID 585368
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one
CID 141411812
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methoxyphenyl)-1-methylurea
CID 30937905
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
CID 87843803
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide (CID 87893797) is N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide is COc1ccc(NC(=O)N(C=O)c2ccc3c(c2)C(=O)CO3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide?
The InChIKey is JXFWDMXVWCSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-13-5-2-11(3-6-13)18-17(22)19(10-20)12-4-7-16-14(8-12)15(21)9-24-16/h2-8,10H,9H2,1H3,(H,18,22).
What are the key properties of N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide?
N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide has a molecular weight of 326.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamoyl]-N-(3-oxo-1-benzofuran-5-yl)formamide is sourced from PubChem (CID 87893797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).