N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide

C22H14Cl3NO2 — CID 4184511

IUPACN-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H14Cl3NO2/c23-16-8-10-20(17(13-16)22(28)15-4-2-1-3-5-15)26-21(27)11-7-14-6-9-18(24)19(25)12-14/h1-13H,(H,26,27)
InChIKeyUACOHRDSIQCNML-UHFFFAOYSA-N
MW430.72 g/mol
LogP6.53
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide

N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 4184511) has the molecular formula C22H14Cl3NO2 and a molecular weight of 430.72 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID4184511
Molecular FormulaC22H14Cl3NO2
Molecular Weight430.72 g/mol
Exact Mass429.01
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H14Cl3NO2/c23-16-8-10-20(17(13-16)22(28)15-4-2-1-3-5-15)26-21(27)11-7-14-6-9-18(24)19(25)12-14/h1-13H,(H,26,27)
InChIKeyUACOHRDSIQCNML-UHFFFAOYSA-N
XLogP6.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 56.53
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

N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 4512617
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681
N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583304
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 2788968
5-chloro-2-[3-(4-phenylphenyl)prop-2-enoylamino]benzoic acid
CID 66680842
N-(2-benzoyl-4-chlorophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 5044493
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-phenylbenzoic acid
CID 69331362
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 4184511) is N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is UACOHRDSIQCNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3NO2/c23-16-8-10-20(17(13-16)22(28)15-4-2-1-3-5-15)26-21(27)11-7-14-6-9-18(24)19(25)12-14/h1-13H,(H,26,27).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 430.72 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4184511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).