[4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone

C16H14ClNO2 — CID 164678378

IUPAC[4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
SMILESCO/N=C(\C)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c1-11(18-20-2)15-10-13(17)8-9-14(15)16(19)12-6-4-3-5-7-12/h3-10H,1-2H3/b18-11+
InChIKeyZQOIIBKJTJBUCD-WOJGMQOQSA-N
MW287.75 g/mol
LogP3.94
Rot. Bonds4

About [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone

[4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone (PubChem CID 164678378) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
PubChem CID164678378
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name[4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
SMILESCO/N=C(\C)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c1-11(18-20-2)15-10-13(17)8-9-14(15)16(19)12-6-4-3-5-7-12/h3-10H,1-2H3/b18-11+
InChIKeyZQOIIBKJTJBUCD-WOJGMQOQSA-N
XLogP3.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[p-Chlorophenyl]-1,2-propanedione-2-oxime
CID 9603109
1-(4-Chloro-[1,1-biphenyl]-2-YL)ethanone
CID 102424272
[5-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone
CID 176436077
(4-Chloro-2-methyl-phenyl)-phenyl-methanone
CID 12205281
1-(4-Chloro-2-phenylphenyl)ethanone
CID 102424271
(5-Chloro-2-methylphenyl)phenylmethanone
CID 36355
8-chloro-1-(2-fluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one
CID 12948279
8-chloro-1-(2-fluorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one-2-oxide
CID 13094329
1-[3-(4-chloro-2-fluorophenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58095984
(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
CID 59840741
8-chloro-1-(2,6-difluorophenyl)-3H-benzo[c]azepin-5(4H)-one
CID 67505494
1-(4-Chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
CID 72575899

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
The IUPAC name of [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone (CID 164678378) is [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone is CO/N=C(\C)c1cc(Cl)ccc1C(=O)c1ccccc1.
What is the InChIKey of [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
The InChIKey is ZQOIIBKJTJBUCD-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11(18-20-2)15-10-13(17)8-9-14(15)16(19)12-6-4-3-5-7-12/h3-10H,1-2H3/b18-11+.
What are the key properties of [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone?
[4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone has a molecular weight of 287.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-phenylmethanone is sourced from PubChem (CID 164678378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).