[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone

C17H16ClNO2 — CID 102134822

IUPAC[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone
SMILESCO/N=C(/C)c1ccc(Cl)cc1C(=O)c1cccc(C)c1
InChIInChI=1S/C17H16ClNO2/c1-11-5-4-6-13(9-11)17(20)16-10-14(18)7-8-15(16)12(2)19-21-3/h4-10H,1-3H3/b19-12-
InChIKeyHKQUNAKCOYAJJU-UNOMPAQXSA-N
MW301.77 g/mol
LogP4.25
Rot. Bonds4

About [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone

[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone (PubChem CID 102134822) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone
PubChem CID102134822
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone
SMILESCO/N=C(/C)c1ccc(Cl)cc1C(=O)c1cccc(C)c1
InChIInChI=1S/C17H16ClNO2/c1-11-5-4-6-13(9-11)17(20)16-10-14(18)7-8-15(16)12(2)19-21-3/h4-10H,1-3H3/b19-12-
InChIKeyHKQUNAKCOYAJJU-UNOMPAQXSA-N
XLogP4.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.25
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

bis(3-methylphenyl)methanone
CID 17848
(2,4-dichloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 175158311
(2-chloro-6-methyl-3-pyridinyl)-(3-methylphenyl)methanone
CID 11053930
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(4-bromo-2-iodophenyl)-(3-methylphenyl)methanone
CID 15467561
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
2-(3-methylbenzoyl)benzoic acid
CID 2801746

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone?
The IUPAC name of [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone (CID 102134822) is [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone?
The canonical SMILES for [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone is CO/N=C(/C)c1ccc(Cl)cc1C(=O)c1cccc(C)c1.
What is the InChIKey of [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone?
The InChIKey is HKQUNAKCOYAJJU-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11-5-4-6-13(9-11)17(20)16-10-14(18)7-8-15(16)12(2)19-21-3/h4-10H,1-3H3/b19-12-.
What are the key properties of [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone?
[5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone has a molecular weight of 301.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 102134822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).