(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

C24H24ClNO3 — CID 7290250

IUPAC(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCCOc1ccc([C@@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClNO3/c1-3-29-22-14-4-17(5-15-22)23(26-20-10-8-19(25)9-11-20)16-24(27)18-6-12-21(28-2)13-7-18/h4-15,23,26H,3,16H2,1-2H3/t23-/m1/s1
InChIKeyCJNALALWIVKQMF-HSZRJFAPSA-N
MW409.91 g/mol
LogP6.17
Rot. Bonds9

About (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 7290250) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID7290250
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCCOc1ccc([C@@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClNO3/c1-3-29-22-14-4-17(5-15-22)23(26-20-10-8-19(25)9-11-20)16-24(27)18-6-12-21(28-2)13-7-18/h4-15,23,26H,3,16H2,1-2H3/t23-/m1/s1
InChIKeyCJNALALWIVKQMF-HSZRJFAPSA-N
XLogP6.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
(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-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
(3R)-3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 98419479
3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
CID 132593520
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one
CID 132593634

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one (CID 7290250) is (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one is CCOc1ccc([C@@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is CJNALALWIVKQMF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-3-29-22-14-4-17(5-15-22)23(26-20-10-8-19(25)9-11-20)16-24(27)18-6-12-21(28-2)13-7-18/h4-15,23,26H,3,16H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 409.91 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 7290250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).