(NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H13ClFNO2 — CID 103038200

IUPAC(NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2c(OCc3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C16H13ClFNO2/c17-13-8-10(4-6-14(13)18)9-21-16-3-1-2-11-12(16)5-7-15(11)19-20/h1-4,6,8,20H,5,7,9H2/b19-15-
InChIKeyFCOGWLOSQQTAQJ-CYVLTUHYSA-N
MW305.74 g/mol
LogP4.18
Rot. Bonds3

About (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 103038200) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID103038200
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name(NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2c(OCc3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C16H13ClFNO2/c17-13-8-10(4-6-14(13)18)9-21-16-3-1-2-11-12(16)5-7-15(11)19-20/h1-4,6,8,20H,5,7,9H2/b19-15-
InChIKeyFCOGWLOSQQTAQJ-CYVLTUHYSA-N
XLogP4.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.18
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-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067697
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984647
N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984565
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol
CID 77060370
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 80696031
4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037684
5-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152029
(NZ)-N-[1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103038202
(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684360

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 103038200) is (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2c(OCc3ccc(F)c(Cl)c3)cccc21.
What is the InChIKey of (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is FCOGWLOSQQTAQJ-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-13-8-10(4-6-14(13)18)9-21-16-3-1-2-11-12(16)5-7-15(11)19-20/h1-4,6,8,20H,5,7,9H2/b19-15-.
What are the key properties of (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 305.74 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-[(3-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 103038200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).