(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide

C21H21ClN2O2 — CID 102276227

IUPAC(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide
SMILESC=C(c1ccc(Cl)cc1)c1ccccc1/C(=C/C(=O)N(C)C)NC(C)=O
InChIInChI=1S/C21H21ClN2O2/c1-14(16-9-11-17(22)12-10-16)18-7-5-6-8-19(18)20(23-15(2)25)13-21(26)24(3)4/h5-13H,1H2,2-4H3,(H,23,25)/b20-13-
InChIKeyDWWFVTQNSTZREW-MOSHPQCFSA-N
MW368.86 g/mol
LogP3.97
Rot. Bonds5

About (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide

(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide (PubChem CID 102276227) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide
PubChem CID102276227
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide
SMILESC=C(c1ccc(Cl)cc1)c1ccccc1/C(=C/C(=O)N(C)C)NC(C)=O
InChIInChI=1S/C21H21ClN2O2/c1-14(16-9-11-17(22)12-10-16)18-7-5-6-8-19(18)20(23-15(2)25)13-21(26)24(3)4/h5-13H,1H2,2-4H3,(H,23,25)/b20-13-
InChIKeyDWWFVTQNSTZREW-MOSHPQCFSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.97
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-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
2-[1-(4-chlorophenyl)ethenyl]-N-phenylbenzamide
CID 154711016
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
CID 121221706
N-acetyl-4-chlorobenzamide
CID 11735747
(E)-4-(4-chlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
CID 13067056
N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
[2-[3-(4-chlorophenyl)-3-hydroxyprop-2-enoyl]phenyl] N,N-dimethylcarbamate
CID 7195614
N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
CID 101478074
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene
CID 164673172
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756

Frequently Asked Questions

What is the IUPAC name of (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide (CID 102276227) is (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide is C=C(c1ccc(Cl)cc1)c1ccccc1/C(=C/C(=O)N(C)C)NC(C)=O.
What is the InChIKey of (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide?
The InChIKey is DWWFVTQNSTZREW-MOSHPQCFSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14(16-9-11-17(22)12-10-16)18-7-5-6-8-19(18)20(23-15(2)25)13-21(26)24(3)4/h5-13H,1H2,2-4H3,(H,23,25)/b20-13-.
What are the key properties of (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide?
(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide has a molecular weight of 368.86 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 102276227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).