4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline

C24H28Cl2FN — CID 134441622

IUPAC4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline
SMILESC=Cc1cc(NC(=C)C(c2cc(C(C)(C)F)ccc2C)C(C)(C)Cl)ccc1Cl
InChIInChI=1S/C24H28Cl2FN/c1-8-17-13-19(11-12-21(17)25)28-16(3)22(23(4,5)26)20-14-18(24(6,7)27)10-9-15(20)2/h8-14,22,28H,1,3H2,2,4-7H3
InChIKeyJONUNNCVLGMPGO-UHFFFAOYSA-N
MW420.40 g/mol
LogP8.22
Rot. Bonds7

About 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline

4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline (PubChem CID 134441622) has the molecular formula C24H28Cl2FN and a molecular weight of 420.40 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline
PubChem CID134441622
Molecular FormulaC24H28Cl2FN
Molecular Weight420.40 g/mol
Exact Mass419.16
IUPAC Name4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline
SMILESC=Cc1cc(NC(=C)C(c2cc(C(C)(C)F)ccc2C)C(C)(C)Cl)ccc1Cl
InChIInChI=1S/C24H28Cl2FN/c1-8-17-13-19(11-12-21(17)25)28-16(3)22(23(4,5)26)20-14-18(24(6,7)27)10-9-15(20)2/h8-14,22,28H,1,3H2,2,4-7H3
InChIKeyJONUNNCVLGMPGO-UHFFFAOYSA-N
XLogP8.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.40
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline?
The IUPAC name of 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline (CID 134441622) is 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline.
What is the SMILES notation for 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline?
The canonical SMILES for 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline is C=Cc1cc(NC(=C)C(c2cc(C(C)(C)F)ccc2C)C(C)(C)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline?
The InChIKey is JONUNNCVLGMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2FN/c1-8-17-13-19(11-12-21(17)25)28-16(3)22(23(4,5)26)20-14-18(24(6,7)27)10-9-15(20)2/h8-14,22,28H,1,3H2,2,4-7H3.
What are the key properties of 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline?
4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline has a molecular weight of 420.40 g/mol, XLogP of 8.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-3-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-4-methylpent-1-en-2-yl]-3-ethenylaniline is sourced from PubChem (CID 134441622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).