N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine

C16H13Cl2NO — CID 5106503

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine
SMILESCOc1ccc(/N=C/C=Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO/c1-20-16-9-8-13(11-15(16)18)19-10-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3/b6-4?,19-10+
InChIKeyCCOBLSNRBQGGBV-HZMZPTBVSA-N
MW306.19 g/mol
LogP5.42
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine

N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine (PubChem CID 5106503) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine
PubChem CID5106503
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine
SMILESCOc1ccc(/N=C/C=Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO/c1-20-16-9-8-13(11-15(16)18)19-10-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3/b6-4?,19-10+
InChIKeyCCOBLSNRBQGGBV-HZMZPTBVSA-N
XLogP5.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine
CID 6142475
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
CID 59205815
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
3-[4-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]phenyl]chromen-2-one
CID 5285743
1-chloro-2-methoxybenzene
CID 13011
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847
(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
CID 139070229
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine (CID 5106503) is N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine is COc1ccc(/N=C/C=Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine?
The InChIKey is CCOBLSNRBQGGBV-HZMZPTBVSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-20-16-9-8-13(11-15(16)18)19-10-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3/b6-4?,19-10+.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine?
N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine has a molecular weight of 306.19 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-en-1-imine is sourced from PubChem (CID 5106503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).