N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C15H14ClN3O2 — CID 43333228

IUPACN-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H14ClN3O2/c1-9-2-7-12(16)8-13(9)18-15(20)11-5-3-10(4-6-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyRDNPJLKQMYBVAU-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.00
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 43333228) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID43333228
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C15H14ClN3O2/c1-9-2-7-12(16)8-13(9)18-15(20)11-5-3-10(4-6-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyRDNPJLKQMYBVAU-UHFFFAOYSA-N
XLogP3.00
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.00
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
N-(5-bromo-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43806257
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
4-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935592
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
CID 76932675
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-3-carboxamide
CID 76935512
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 43333228) is N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is RDNPJLKQMYBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-2-7-12(16)8-13(9)18-15(20)11-5-3-10(4-6-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 303.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 43333228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).