[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate

C29H24ClNO2 — CID 59366095

IUPAC[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C29H24ClNO2/c1-20(2)29(32)33-28-6-4-5-23(19-28)22-9-15-26(16-10-22)31(25-13-7-21(3)8-14-25)27-17-11-24(30)12-18-27/h4-19H,1H2,2-3H3
InChIKeyQWPKMDJHVCXBGQ-UHFFFAOYSA-N
MW453.97 g/mol
LogP8.27
Rot. Bonds6

About [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate

[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 59366095) has the molecular formula C29H24ClNO2 and a molecular weight of 453.97 g/mol. Its IUPAC name is [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID59366095
Molecular FormulaC29H24ClNO2
Molecular Weight453.97 g/mol
Exact Mass453.15
IUPAC Name[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C29H24ClNO2/c1-20(2)29(32)33-28-6-4-5-23(19-28)22-9-15-26(16-10-22)31(25-13-7-21(3)8-14-25)27-17-11-24(30)12-18-27/h4-19H,1H2,2-3H3
InChIKeyQWPKMDJHVCXBGQ-UHFFFAOYSA-N
XLogP8.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] prop-2-enoate;[3-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 157164623
[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614
[4-[4-(4-methyl-N-[4-[5-[4-(4-methyl-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58520185
[6-[N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58520173
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[5-(4-methyl-N-[2-methyl-4-[3-methyl-4-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)phenyl]phenyl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 58520143
[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 58520062
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino]phenyl]phenyl] 2-methylpropanoate
CID 148930782
[4-[3-chloro-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 67472309
[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
CID 18954612
[4-[N-[4-[4-methyl-2-[4-[4-(4-methylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(4-methylphenyl)anilino]phenyl] 2-methylprop-2-enoate
CID 58205425

Frequently Asked Questions

What is the IUPAC name of [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate (CID 59366095) is [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is QWPKMDJHVCXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClNO2/c1-20(2)29(32)33-28-6-4-5-23(19-28)22-9-15-26(16-10-22)31(25-13-7-21(3)8-14-25)27-17-11-24(30)12-18-27/h4-19H,1H2,2-3H3.
What are the key properties of [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate?
[3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 453.97 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(N-(4-chlorophenyl)-4-methylanilino)phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 59366095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).