N-(3-aminobutyl)-3,5-dichlorobenzamide

C11H14Cl2N2O — CID 63253948

IUPACN-(3-aminobutyl)-3,5-dichlorobenzamide
SMILESCC(N)CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(14)2-3-15-11(16)8-4-9(12)6-10(13)5-8/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyBZHFPCXIYXGZQA-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.46
Rot. Bonds4

About N-(3-aminobutyl)-3,5-dichlorobenzamide

N-(3-aminobutyl)-3,5-dichlorobenzamide (PubChem CID 63253948) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,5-dichlorobenzamide
PubChem CID63253948
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC NameN-(3-aminobutyl)-3,5-dichlorobenzamide
SMILESCC(N)CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(14)2-3-15-11(16)8-4-9(12)6-10(13)5-8/h4-7H,2-3,14H2,1H3,(H,15,16)
InChIKeyBZHFPCXIYXGZQA-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-chloro-5-nitrobenzamide
CID 81479249
3,5-dichloro-N-propylbenzamide
CID 2767298
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107834723
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,5-dichlorobenzamide?
The IUPAC name of N-(3-aminobutyl)-3,5-dichlorobenzamide (CID 63253948) is N-(3-aminobutyl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(3-aminobutyl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(3-aminobutyl)-3,5-dichlorobenzamide is CC(N)CCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-aminobutyl)-3,5-dichlorobenzamide?
The InChIKey is BZHFPCXIYXGZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(14)2-3-15-11(16)8-4-9(12)6-10(13)5-8/h4-7H,2-3,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-3,5-dichlorobenzamide?
N-(3-aminobutyl)-3,5-dichlorobenzamide has a molecular weight of 261.15 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 63253948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).