N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide

C22H18ClNO2 — CID 5085648

IUPACN-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO2/c1-26-21-13-12-18(23)15-20(21)24-22(25)19(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)
InChIKeyNTNGEIWLRKYUDY-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.53
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide

N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide (PubChem CID 5085648) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
PubChem CID5085648
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO2/c1-26-21-13-12-18(23)15-20(21)24-22(25)19(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)
InChIKeyNTNGEIWLRKYUDY-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide (CID 5085648) is N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide is COc1ccc(Cl)cc1NC(=O)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is NTNGEIWLRKYUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-26-21-13-12-18(23)15-20(21)24-22(25)19(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide?
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 363.84 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 5085648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).