N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide

C22H18ClNO — CID 3394107

IUPACN-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H18ClNO/c23-20-12-6-4-10-18(20)14-15-22(25)24-21-13-7-5-11-19(21)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,24,25)
InChIKeyWUFYNOLFAVHSBP-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.58
Rot. Bonds5

About N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide

N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 3394107) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
PubChem CID3394107
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC NameN-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H18ClNO/c23-20-12-6-4-10-18(20)14-15-22(25)24-21-13-7-5-11-19(21)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,24,25)
InChIKeyWUFYNOLFAVHSBP-UHFFFAOYSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.58
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)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108934307
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905371
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4812357
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide (CID 3394107) is N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is WUFYNOLFAVHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c23-20-12-6-4-10-18(20)14-15-22(25)24-21-13-7-5-11-19(21)16-17-8-2-1-3-9-17/h1-15H,16H2,(H,24,25).
What are the key properties of N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide?
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 347.85 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 3394107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).