N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C15H14ClN3O2 — CID 107637344

IUPACN-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2cccc(/C(N)=N/O)c2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9-5-6-12(16)13(7-9)18-15(20)11-4-2-3-10(8-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyREFDMFSCTHMBBA-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.00
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 107637344) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID107637344
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2cccc(/C(N)=N/O)c2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9-5-6-12(16)13(7-9)18-15(20)11-4-2-3-10(8-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyREFDMFSCTHMBBA-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

1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
CID 107809918
3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107635860
3-(3-aminoprop-1-ynyl)-N-(2-chloro-5-methylphenyl)benzamide
CID 107629755
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 107637344) is N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is Cc1ccc(Cl)c(NC(=O)c2cccc(/C(N)=N/O)c2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is REFDMFSCTHMBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-5-6-12(16)13(7-9)18-15(20)11-4-2-3-10(8-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(2-chloro-5-methylphenyl)-3-[(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-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 107637344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).