4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one

C13H17Cl2NO — CID 139705210

IUPAC4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one
SMILESCC(=O)CCNC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-9(17)4-5-16-13(2,3)10-6-11(14)8-12(15)7-10/h6-8,16H,4-5H2,1-3H3
InChIKeyZAEIDPRAYBJGQO-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.80
Rot. Bonds5

About 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one

4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one (PubChem CID 139705210) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one.

Molecular Properties

Compound Name4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one
PubChem CID139705210
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one
SMILESCC(=O)CCNC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-9(17)4-5-16-13(2,3)10-6-11(14)8-12(15)7-10/h6-8,16H,4-5H2,1-3H3
InChIKeyZAEIDPRAYBJGQO-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine
CID 139829410
methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
CID 110477784
N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
CID 110478525
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
CID 110487750
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-prop-2-enoxyurea
CID 54114932
1-[3-chloro-5-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 138723380
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
1-amino-1-(3,5-dichlorophenyl)ethanol
CID 23370682
5-(5-chloro-2-methoxy-3-methylanilino)pentan-2-one
CID 115236229
5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
CID 111496341

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one?
The IUPAC name of 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one (CID 139705210) is 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one.
What is the SMILES notation for 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one?
The canonical SMILES for 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one is CC(=O)CCNC(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one?
The InChIKey is ZAEIDPRAYBJGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(17)4-5-16-13(2,3)10-6-11(14)8-12(15)7-10/h6-8,16H,4-5H2,1-3H3.
What are the key properties of 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one?
4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one has a molecular weight of 274.19 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one is sourced from PubChem (CID 139705210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).