(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine

C14H12ClNO2 — CID 42200980

IUPAC(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C14H12ClNO2/c15-13-6-7-14(12(8-13)9-16-17)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2/b16-9+
InChIKeyXXTMQMLAONEYNV-CXUHLZMHSA-N
MW261.71 g/mol
LogP3.73
Rot. Bonds4

About (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 42200980) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID42200980
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C14H12ClNO2/c15-13-6-7-14(12(8-13)9-16-17)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2/b16-9+
InChIKeyXXTMQMLAONEYNV-CXUHLZMHSA-N
XLogP3.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.73
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

(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984350
(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine
CID 23035301
4-[[4-chloro-2-(phenyliminomethyl)phenoxy]methyl]benzoic acid
CID 126224839
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 22686650
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
(Z)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 22682126

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 42200980) is (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine is O/N=C/c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is XXTMQMLAONEYNV-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-13-6-7-14(12(8-13)9-16-17)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2/b16-9+.
What are the key properties of (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 261.71 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 42200980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).