2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide

C16H16ClN3O — CID 10086243

IUPAC2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide
SMILESC/C(=N\O)c1ccccc1/N=C(\CCl)Nc1ccccc1
InChIInChI=1S/C16H16ClN3O/c1-12(20-21)14-9-5-6-10-15(14)19-16(11-17)18-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3,(H,18,19)/b20-12+
InChIKeyGFAVCFAGKVDOKN-UDWIEESQSA-N
MW301.78 g/mol
LogP4.27
Rot. Bonds4

About 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide

2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide (PubChem CID 10086243) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide
PubChem CID10086243
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide
SMILESC/C(=N\O)c1ccccc1/N=C(\CCl)Nc1ccccc1
InChIInChI=1S/C16H16ClN3O/c1-12(20-21)14-9-5-6-10-15(14)19-16(11-17)18-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3,(H,18,19)/b20-12+
InChIKeyGFAVCFAGKVDOKN-UDWIEESQSA-N
XLogP4.27
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
(NE)-N-[1-(2-azidophenyl)ethylidene]hydroxylamine
CID 12791909
CID 164666940
CID 164666940
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
2-[(1-amino-2-chloroethylidene)amino]-N-(4-methylphenyl)benzamide
CID 169365781
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-(2-chlorophenyl)-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 43106968
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
CID 24698020
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
CID 24707294
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide?
The IUPAC name of 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide (CID 10086243) is 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide is C/C(=N\O)c1ccccc1/N=C(\CCl)Nc1ccccc1.
What is the InChIKey of 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide?
The InChIKey is GFAVCFAGKVDOKN-UDWIEESQSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-12(20-21)14-9-5-6-10-15(14)19-16(11-17)18-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3,(H,18,19)/b20-12+.
What are the key properties of 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide?
2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide has a molecular weight of 301.78 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide is sourced from PubChem (CID 10086243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).