(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide

C21H17ClN2O — CID 749144

IUPAC(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(NCc1ccccn1)/C(=C\c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-20-12-5-4-10-17(20)14-19(16-8-2-1-3-9-16)21(25)24-15-18-11-6-7-13-23-18/h1-14H,15H2,(H,24,25)/b19-14-
InChIKeyUOBDMGDPKIBMCO-RGEXLXHISA-N
MW348.83 g/mol
LogP4.59
Rot. Bonds5

About (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide

(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 749144) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID749144
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(NCc1ccccn1)/C(=C\c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-20-12-5-4-10-17(20)14-19(16-8-2-1-3-9-16)21(25)24-15-18-11-6-7-13-23-18/h1-14H,15H2,(H,24,25)/b19-14-
InChIKeyUOBDMGDPKIBMCO-RGEXLXHISA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.59
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)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714365
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770782
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 807795
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
(E)-3-(2-chlorophenyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenylprop-2-enamide
CID 100573750

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 749144) is (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide is O=C(NCc1ccccn1)/C(=C\c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is UOBDMGDPKIBMCO-RGEXLXHISA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-20-12-5-4-10-17(20)14-19(16-8-2-1-3-9-16)21(25)24-15-18-11-6-7-13-23-18/h1-14H,15H2,(H,24,25)/b19-14-.
What are the key properties of (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 348.83 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 749144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).