(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine

C28H23Cl2N — CID 135245561

IUPAC(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
SMILESClc1cc(Cl)cc(/C(=C/Cc2cccc(-c3ccccc3)c2)NCc2ccccc2)c1
InChIInChI=1S/C28H23Cl2N/c29-26-17-25(18-27(30)19-26)28(31-20-22-8-3-1-4-9-22)15-14-21-10-7-13-24(16-21)23-11-5-2-6-12-23/h1-13,15-19,31H,14,20H2/b28-15-
InChIKeyZQWKYEGKNHMTKQ-MBTHVWNTSA-N
MW444.41 g/mol
LogP8.03
Rot. Bonds7

About (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine

(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine (PubChem CID 135245561) has the molecular formula C28H23Cl2N and a molecular weight of 444.41 g/mol. Its IUPAC name is (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
PubChem CID135245561
Molecular FormulaC28H23Cl2N
Molecular Weight444.41 g/mol
Exact Mass443.12
IUPAC Name(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
SMILESClc1cc(Cl)cc(/C(=C/Cc2cccc(-c3ccccc3)c2)NCc2ccccc2)c1
InChIInChI=1S/C28H23Cl2N/c29-26-17-25(18-27(30)19-26)28(31-20-22-8-3-1-4-9-22)15-14-21-10-7-13-24(16-21)23-11-5-2-6-12-23/h1-13,15-19,31H,14,20H2/b28-15-
InChIKeyZQWKYEGKNHMTKQ-MBTHVWNTSA-N
XLogP8.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine
CID 135245571
1-chloro-4-(3-prop-2-enylphenyl)benzene
CID 57162575
(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine
CID 142453295
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine
CID 22483419
1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene
CID 145174310
1-chloro-3-(3-methylphenyl)benzene;(Z)-1,3-diphenylprop-1-en-1-amine
CID 145299888
ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
CID 145051761
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine (CID 135245561) is (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine is Clc1cc(Cl)cc(/C(=C/Cc2cccc(-c3ccccc3)c2)NCc2ccccc2)c1.
What is the InChIKey of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?
The InChIKey is ZQWKYEGKNHMTKQ-MBTHVWNTSA-N. The full InChI is InChI=1S/C28H23Cl2N/c29-26-17-25(18-27(30)19-26)28(31-20-22-8-3-1-4-9-22)15-14-21-10-7-13-24(16-21)23-11-5-2-6-12-23/h1-13,15-19,31H,14,20H2/b28-15-.
What are the key properties of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?
(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine has a molecular weight of 444.41 g/mol, XLogP of 8.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 135245561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).