N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine

C17H16ClNO2 — CID 88828388

IUPACN-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine
SMILESCCOc1ccc(C(Cl)=C(C=NO)c2ccccc2)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-15-10-8-14(9-11-15)17(18)16(12-19-20)13-6-4-3-5-7-13/h3-12,20H,2H2,1H3
InChIKeyQHAMZWUOYUADEL-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.65
Rot. Bonds5

About N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine

N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine (PubChem CID 88828388) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine
PubChem CID88828388
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine
SMILESCCOc1ccc(C(Cl)=C(C=NO)c2ccccc2)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-15-10-8-14(9-11-15)17(18)16(12-19-20)13-6-4-3-5-7-13/h3-12,20H,2H2,1H3
InChIKeyQHAMZWUOYUADEL-UHFFFAOYSA-N
XLogP4.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.65
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

benzamide;1,4-diethoxybenzene
CID 162120306
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
ethoxybenzene chloride
CID 21193593
1-(4-chloro-1,2-diphenylbut-1-enyl)-4-ethoxybenzene;methanamine
CID 175021348
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
1-(4-ethoxyphenyl)ethenamine
CID 129289710
ethoxybenzene;molecular iodine
CID 67763605
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
prop-2-enyl 3,3-bis(4-ethoxyphenyl)-N-phenylprop-2-enimidothioate
CID 139646636
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine?
The IUPAC name of N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine (CID 88828388) is N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine?
The canonical SMILES for N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine is CCOc1ccc(C(Cl)=C(C=NO)c2ccccc2)cc1.
What is the InChIKey of N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine?
The InChIKey is QHAMZWUOYUADEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-21-15-10-8-14(9-11-15)17(18)16(12-19-20)13-6-4-3-5-7-13/h3-12,20H,2H2,1H3.
What are the key properties of N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine?
N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine has a molecular weight of 301.77 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-3-(4-ethoxyphenyl)-2-phenylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 88828388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).