1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one

C24H23ClINO — CID 132591671

IUPAC1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C24H23ClINO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-11-21(26)12-14-22)15-24(28)19-7-9-20(25)10-8-19/h3-14,16,23,27H,15H2,1-2H3
InChIKeyNOJPRDDFUZOACY-UHFFFAOYSA-N
MW503.81 g/mol
LogP7.49
Rot. Bonds7

About 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one

1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 132591671) has the molecular formula C24H23ClINO and a molecular weight of 503.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one
PubChem CID132591671
Molecular FormulaC24H23ClINO
Molecular Weight503.81 g/mol
Exact Mass503.05
IUPAC Name1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C24H23ClINO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-11-21(26)12-14-22)15-24(28)19-7-9-20(25)10-8-19/h3-14,16,23,27H,15H2,1-2H3
InChIKeyNOJPRDDFUZOACY-UHFFFAOYSA-N
XLogP7.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.81
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475
1-(4-chlorophenyl)-3-(4-methylanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591664
(3S)-3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 2222887
(3R)-3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 2222888
(3S)-1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-methoxyphenyl)propan-1-one
CID 100817165
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593664
3-(4-ethylanilino)-1-(4-ethylphenyl)-3-(4-iodophenyl)propan-1-one
CID 4010443
(3S)-1,3-bis(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-one
CID 7034447
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593528
3-(4-tert-butylphenyl)-3-(4-chloroanilino)-1-(4-ethylphenyl)propan-1-one
CID 17138848

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one (CID 132591671) is 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one is CC(C)c1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is NOJPRDDFUZOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClINO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-11-21(26)12-14-22)15-24(28)19-7-9-20(25)10-8-19/h3-14,16,23,27H,15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one?
1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 503.81 g/mol, XLogP of 7.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 132591671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).