(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide

C22H17Cl2NO2 — CID 51058015

IUPAC(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C22H17Cl2NO2/c23-18-10-5-17(6-11-18)15-27-19-12-7-16(8-13-19)9-14-22(26)25-21-4-2-1-3-20(21)24/h1-14H,15H2,(H,25,26)/b14-9+
InChIKeyXJZGVAYVQCKGSZ-NTEUORMPSA-N
MW398.29 g/mol
LogP6.22
Rot. Bonds6

About (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide

(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 51058015) has the molecular formula C22H17Cl2NO2 and a molecular weight of 398.29 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID51058015
Molecular FormulaC22H17Cl2NO2
Molecular Weight398.29 g/mol
Exact Mass397.06
IUPAC Name(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C22H17Cl2NO2/c23-18-10-5-17(6-11-18)15-27-19-12-7-16(8-13-19)9-14-22(26)25-21-4-2-1-3-20(21)24/h1-14H,15H2,(H,25,26)/b14-9+
InChIKeyXJZGVAYVQCKGSZ-NTEUORMPSA-N
XLogP6.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4613514
(E)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-2-oxobut-3-enoic acid
CID 82185712
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 51057666
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide (CID 51058015) is (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is XJZGVAYVQCKGSZ-NTEUORMPSA-N. The full InChI is InChI=1S/C22H17Cl2NO2/c23-18-10-5-17(6-11-18)15-27-19-12-7-16(8-13-19)9-14-22(26)25-21-4-2-1-3-20(21)24/h1-14H,15H2,(H,25,26)/b14-9+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 398.29 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 51058015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).