(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride

C24H22Cl3NO — CID 67784535

IUPAC(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)cc1.Cl
InChIInChI=1S/C24H21Cl2NO.ClH/c1-3-14-27(2)16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)24(28)22-13-12-21(25)15-23(22)26;/h3-13,15H,1,14,16H2,2H3;1H
InChIKeyUBQDLZZTVNAARG-UHFFFAOYSA-N
MW446.81 g/mol
LogP6.93
Rot. Bonds7

About (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride

(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride (PubChem CID 67784535) has the molecular formula C24H22Cl3NO and a molecular weight of 446.81 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
PubChem CID67784535
Molecular FormulaC24H22Cl3NO
Molecular Weight446.81 g/mol
Exact Mass445.08
IUPAC Name(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)cc1.Cl
InChIInChI=1S/C24H21Cl2NO.ClH/c1-3-14-27(2)16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)24(28)22-13-12-21(25)15-23(22)26;/h3-13,15H,1,14,16H2,2H3;1H
InChIKeyUBQDLZZTVNAARG-UHFFFAOYSA-N
XLogP6.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.81
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 44570860
[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
CID 67785165
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
CID 67853322
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
CID 43340829
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
CID 15065209
(E)-4-[(4-chlorophenyl)methyl-methylamino]but-2-enoic acid
CID 62341552
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(2,4-dichlorophenyl)-(4-phosphorosophenyl)methanone
CID 141016056

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride?
The IUPAC name of (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride (CID 67784535) is (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride?
The canonical SMILES for (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride is C=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)cc1.Cl.
What is the InChIKey of (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride?
The InChIKey is UBQDLZZTVNAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO.ClH/c1-3-14-27(2)16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)24(28)22-13-12-21(25)15-23(22)26;/h3-13,15H,1,14,16H2,2H3;1H.
What are the key properties of (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride?
(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride has a molecular weight of 446.81 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 67784535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).