N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide

C16H16N2O3 — CID 74313239

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(C)=NO)cc2)c1
InChIInChI=1S/C16H16N2O3/c1-11(18-20)12-6-8-14(9-7-12)17-16(19)13-4-3-5-15(10-13)21-2/h3-10,20H,1-2H3,(H,17,19)
InChIKeyUVGWMUPPKVDXKY-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.15
Rot. Bonds4

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide (PubChem CID 74313239) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
PubChem CID74313239
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(C)=NO)cc2)c1
InChIInChI=1S/C16H16N2O3/c1-11(18-20)12-6-8-14(9-7-12)17-16(19)13-4-3-5-15(10-13)21-2/h3-10,20H,1-2H3,(H,17,19)
InChIKeyUVGWMUPPKVDXKY-UHFFFAOYSA-N
XLogP3.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide (CID 74313239) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C(C)=NO)cc2)c1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide?
The InChIKey is UVGWMUPPKVDXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(18-20)12-6-8-14(9-7-12)17-16(19)13-4-3-5-15(10-13)21-2/h3-10,20H,1-2H3,(H,17,19).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide has a molecular weight of 284.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 74313239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).