(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine

C16H16ClNO3 — CID 5408706

IUPAC(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-2-20-15-9-13(10-18-19)8-14(17)16(15)21-11-12-6-4-3-5-7-12/h3-10,19H,2,11H2,1H3/b18-10-
InChIKeyOJVYTPVTWRTPNI-ZDLGFXPLSA-N
MW305.76 g/mol
LogP4.13
Rot. Bonds6

About (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 5408706) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID5408706
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-2-20-15-9-13(10-18-19)8-14(17)16(15)21-11-12-6-4-3-5-7-12/h3-10,19H,2,11H2,1H3/b18-10-
InChIKeyOJVYTPVTWRTPNI-ZDLGFXPLSA-N
XLogP4.13
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 42206329
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 126047053
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
(NZ)-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 124581265
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453
4-[[2-chloro-6-ethoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126220395
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3279486

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 5408706) is (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine is CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is OJVYTPVTWRTPNI-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-2-20-15-9-13(10-18-19)8-14(17)16(15)21-11-12-6-4-3-5-7-12/h3-10,19H,2,11H2,1H3/b18-10-.
What are the key properties of (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 305.76 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5408706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).