3-(3,5-dichlorophenyl)butanamide

C10H11Cl2NO — CID 173252327

IUPAC3-(3,5-dichlorophenyl)butanamide
SMILESCC(CC(N)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(2-10(13)14)7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyKIFLZTGSGJHISO-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.97
Rot. Bonds3

About 3-(3,5-dichlorophenyl)butanamide

3-(3,5-dichlorophenyl)butanamide (PubChem CID 173252327) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)butanamide
PubChem CID173252327
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-(3,5-dichlorophenyl)butanamide
SMILESCC(CC(N)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(2-10(13)14)7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyKIFLZTGSGJHISO-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
3-(4-methylsulfinylphenyl)butanamide
CID 123524648
3-(3-chlorophenyl)butanoic acid
CID 71683749
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
3-(3,5-dichlorophenyl)pentanedioic acid
CID 10678120
3-[3-chloro-4-(1-phenylethoxy)phenyl]butanamide
CID 70421395
(2R)-2-(3-chlorophenyl)butanediamide
CID 94675074
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)butanamide?
The IUPAC name of 3-(3,5-dichlorophenyl)butanamide (CID 173252327) is 3-(3,5-dichlorophenyl)butanamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)butanamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)butanamide is CC(CC(N)=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)butanamide?
The InChIKey is KIFLZTGSGJHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6(2-10(13)14)7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 3-(3,5-dichlorophenyl)butanamide?
3-(3,5-dichlorophenyl)butanamide has a molecular weight of 232.11 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)butanamide is sourced from PubChem (CID 173252327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).