N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide

C16H17N3O2 — CID 76979478

IUPACN-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C16H17N3O2/c1-11-5-3-4-6-14(11)16(20)19(2)13-9-7-12(8-10-13)15(17)18-21/h3-10,21H,1-2H3,(H2,17,18)
InChIKeyPRLPQIMYFYRQMO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds3

About N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide

N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide (PubChem CID 76979478) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide
PubChem CID76979478
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C16H17N3O2/c1-11-5-3-4-6-14(11)16(20)19(2)13-9-7-12(8-10-13)15(17)18-21/h3-10,21H,1-2H3,(H2,17,18)
InChIKeyPRLPQIMYFYRQMO-UHFFFAOYSA-N
XLogP2.37
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide 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

N-(4-carbamothioylphenyl)-N,2-dimethylbenzamide
CID 62969603
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
5-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N,4-dimethylthiophene-2-carboxamide
CID 79999791
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylbenzamide
CID 76932844
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
5-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-2-carboxamide
CID 76979547
N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
CID 151032584
N-chloro-N,2-dimethylbenzamide
CID 166437996

Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide (CID 76979478) is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide?
The InChIKey is PRLPQIMYFYRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-5-3-4-6-14(11)16(20)19(2)13-9-7-12(8-10-13)15(17)18-21/h3-10,21H,1-2H3,(H2,17,18).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide?
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 76979478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).