4-(3-chloroanilino)-4-phenylbutan-2-one

C16H16ClNO — CID 102258226

IUPAC4-(3-chloroanilino)-4-phenylbutan-2-one
SMILESCC(=O)CC(Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(19)10-16(13-6-3-2-4-7-13)18-15-9-5-8-14(17)11-15/h2-9,11,16,18H,10H2,1H3
InChIKeySIFSMBNFWBSKOI-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.47
Rot. Bonds5

About 4-(3-chloroanilino)-4-phenylbutan-2-one

4-(3-chloroanilino)-4-phenylbutan-2-one (PubChem CID 102258226) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-(3-chloroanilino)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-(3-chloroanilino)-4-phenylbutan-2-one
PubChem CID102258226
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-(3-chloroanilino)-4-phenylbutan-2-one
SMILESCC(=O)CC(Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(19)10-16(13-6-3-2-4-7-13)18-15-9-5-8-14(17)11-15/h2-9,11,16,18H,10H2,1H3
InChIKeySIFSMBNFWBSKOI-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
CID 20504940
3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
CID 132592115
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592599
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
1-(4-chlorophenyl)-3-(3-nitroanilino)-3-phenylpropan-1-one
CID 15731331
4-(4-nitroanilino)-4-phenylbutan-2-one
CID 14644789
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-4-phenylbutan-2-one?
The IUPAC name of 4-(3-chloroanilino)-4-phenylbutan-2-one (CID 102258226) is 4-(3-chloroanilino)-4-phenylbutan-2-one.
What is the SMILES notation for 4-(3-chloroanilino)-4-phenylbutan-2-one?
The canonical SMILES for 4-(3-chloroanilino)-4-phenylbutan-2-one is CC(=O)CC(Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 4-(3-chloroanilino)-4-phenylbutan-2-one?
The InChIKey is SIFSMBNFWBSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(19)10-16(13-6-3-2-4-7-13)18-15-9-5-8-14(17)11-15/h2-9,11,16,18H,10H2,1H3.
What are the key properties of 4-(3-chloroanilino)-4-phenylbutan-2-one?
4-(3-chloroanilino)-4-phenylbutan-2-one has a molecular weight of 273.76 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-4-phenylbutan-2-one is sourced from PubChem (CID 102258226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).