3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one

C27H24ClNO2 — CID 132592599

IUPAC3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccc3ccccc3c2)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C27H24ClNO2/c1-2-31-25-14-12-20(13-15-25)26(29-24-9-5-8-23(28)17-24)18-27(30)22-11-10-19-6-3-4-7-21(19)16-22/h3-17,26,29H,2,18H2,1H3
InChIKeyXPBNYSUFAXXUFW-UHFFFAOYSA-N
MW429.95 g/mol
LogP7.32
Rot. Bonds8

About 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one

3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one (PubChem CID 132592599) has the molecular formula C27H24ClNO2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one
PubChem CID132592599
Molecular FormulaC27H24ClNO2
Molecular Weight429.95 g/mol
Exact Mass429.15
IUPAC Name3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccc3ccccc3c2)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C27H24ClNO2/c1-2-31-25-14-12-20(13-15-25)26(29-24-9-5-8-23(28)17-24)18-27(30)22-11-10-19-6-3-4-7-21(19)16-22/h3-17,26,29H,2,18H2,1H3
InChIKeyXPBNYSUFAXXUFW-UHFFFAOYSA-N
XLogP7.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
4-(3-chloroanilino)-4-phenylbutan-2-one
CID 102258226
3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
CID 132592115
3-(4-iodoanilino)-3-(4-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592552
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
CID 132593520

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one (CID 132592599) is 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one is CCOc1ccc(C(CC(=O)c2ccc3ccccc3c2)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is XPBNYSUFAXXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO2/c1-2-31-25-14-12-20(13-15-25)26(29-24-9-5-8-23(28)17-24)18-27(30)22-11-10-19-6-3-4-7-21(19)16-22/h3-17,26,29H,2,18H2,1H3.
What are the key properties of 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 429.95 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 132592599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).