N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide

C24H21Cl2NO — CID 90956304

IUPACN-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl2NO/c25-22-11-6-19(7-12-22)16-21(20-9-13-23(26)14-10-20)17-27-24(28)15-8-18-4-2-1-3-5-18/h1-15,21H,16-17H2,(H,27,28)/t21-/m0/s1
InChIKeyJIZRXHBCJUFHGK-NRFANRHFSA-N
MW410.34 g/mol
LogP6.15
Rot. Bonds7

About N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide

N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide (PubChem CID 90956304) has the molecular formula C24H21Cl2NO and a molecular weight of 410.34 g/mol. Its IUPAC name is N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide
PubChem CID90956304
Molecular FormulaC24H21Cl2NO
Molecular Weight410.34 g/mol
Exact Mass409.10
IUPAC NameN-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21Cl2NO/c25-22-11-6-19(7-12-22)16-21(20-9-13-23(26)14-10-20)17-27-24(28)15-8-18-4-2-1-3-5-18/h1-15,21H,16-17H2,(H,27,28)/t21-/m0/s1
InChIKeyJIZRXHBCJUFHGK-NRFANRHFSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
CID 2598217
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)acrylamide
CID 732568
N-benzyl-3-(2-chlorophenyl)acrylamide
CID 5333112
4'-Chloro-biphenyl-4-carboxylic acid [2-(4-aminomethyl-phenyl)-ethyl]-amide
CID 60130349
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188775
(2E)-3-(4-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 692389
3-(2-chlorophenyl)-N-(2-phenylethyl)acrylamide
CID 700599
3-(3-chlorophenyl)-N-(2-phenylethyl)acrylamide
CID 898152
(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 1122223
N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
CID 2125817
3-(4-chlorophenyl)-N-(1-methyl-2-phenylethyl)acrylamide
CID 5730637

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide (CID 90956304) is N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NC[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide?
The InChIKey is JIZRXHBCJUFHGK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21Cl2NO/c25-22-11-6-19(7-12-22)16-21(20-9-13-23(26)14-10-20)17-27-24(28)15-8-18-4-2-1-3-5-18/h1-15,21H,16-17H2,(H,27,28)/t21-/m0/s1.
What are the key properties of N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide?
N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide has a molecular weight of 410.34 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 90956304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).