N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H14N2O4 — CID 56684916

IUPACN-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O4/c1-17(12-6-8-13(9-7-12)18(20)21)16(19)15-10-11-4-2-3-5-14(11)22-15/h2-9,15H,10H2,1H3
InChIKeyDQDXPOFEJFCVHN-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.56
Rot. Bonds3

About N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 56684916) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID56684916
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O4/c1-17(12-6-8-13(9-7-12)18(20)21)16(19)15-10-11-4-2-3-5-14(11)22-15/h2-9,15H,10H2,1H3
InChIKeyDQDXPOFEJFCVHN-UHFFFAOYSA-N
XLogP2.56
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61296761
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55123678
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
(2S)-2-[N-(2,3-dihydro-1-benzofuran-2-carbonyl)anilino]propanoic acid
CID 70369471
2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 64822129
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 79120299
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425
N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17015071
2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738210
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 56684916) is N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C(=O)C1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DQDXPOFEJFCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-17(12-6-8-13(9-7-12)18(20)21)16(19)15-10-11-4-2-3-5-14(11)22-15/h2-9,15H,10H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56684916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).