(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine

C16H15ClFNO2 — CID 110447935

IUPAC(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine
SMILESCOc1cc(Cl)c(C)cc1-c1cc(/C(C)=N/O)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-9-6-13(16(21-3)8-14(9)17)12-7-11(10(2)19-20)4-5-15(12)18/h4-8,20H,1-3H3/b19-10+
InChIKeyAYAQUCJJVDUUAD-VXLYETTFSA-N
MW307.75 g/mol
LogP4.66
Rot. Bonds3

About (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine

(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine (PubChem CID 110447935) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine
PubChem CID110447935
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine
SMILESCOc1cc(Cl)c(C)cc1-c1cc(/C(C)=N/O)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-9-6-13(16(21-3)8-14(9)17)12-7-11(10(2)19-20)4-5-15(12)18/h4-8,20H,1-3H3/b19-10+
InChIKeyAYAQUCJJVDUUAD-VXLYETTFSA-N
XLogP4.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
CID 110447871
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
CID 82540716
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine (CID 110447935) is (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine is COc1cc(Cl)c(C)cc1-c1cc(/C(C)=N/O)ccc1F.
What is the InChIKey of (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine?
The InChIKey is AYAQUCJJVDUUAD-VXLYETTFSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-9-6-13(16(21-3)8-14(9)17)12-7-11(10(2)19-20)4-5-15(12)18/h4-8,20H,1-3H3/b19-10+.
What are the key properties of (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine has a molecular weight of 307.75 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 110447935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).