(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide

C15H11Cl2NO — CID 170876865

IUPAC(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2NO/c16-13-7-6-12(9-14(13)17)11-4-1-10(2-5-11)3-8-15(18)19/h1-9H,(H2,18,19)/b8-3-
InChIKeyOUWCWXYPRPALGT-BAQGIRSFSA-N
MW292.17 g/mol
LogP4.16
Rot. Bonds3

About (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide

(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide (PubChem CID 170876865) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
PubChem CID170876865
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2NO/c16-13-7-6-12(9-14(13)17)11-4-1-10(2-5-11)3-8-15(18)19/h1-9H,(H2,18,19)/b8-3-
InChIKeyOUWCWXYPRPALGT-BAQGIRSFSA-N
XLogP4.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.16
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

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
4-(3,4-dichlorophenyl)benzamide
CID 141087497
(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
CID 89009479
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
2-[5-(3-amino-3-oxoprop-1-enyl)-2-chlorophenyl]acetic acid
CID 169482209
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
CID 73215251
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide (CID 170876865) is (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide is NC(=O)/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide?
The InChIKey is OUWCWXYPRPALGT-BAQGIRSFSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-13-7-6-12(9-14(13)17)11-4-1-10(2-5-11)3-8-15(18)19/h1-9H,(H2,18,19)/b8-3-.
What are the key properties of (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide?
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide has a molecular weight of 292.17 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 170876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).