N-(3-aminobutyl)-4-bromo-3-chlorobenzamide

C11H14BrClN2O — CID 81295761

IUPACN-(3-aminobutyl)-4-bromo-3-chlorobenzamide
SMILESCC(N)CCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O/c1-7(14)4-5-15-11(16)8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyZTLUKLZOCRSQFP-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.57
Rot. Bonds4

About N-(3-aminobutyl)-4-bromo-3-chlorobenzamide

N-(3-aminobutyl)-4-bromo-3-chlorobenzamide (PubChem CID 81295761) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-bromo-3-chlorobenzamide
PubChem CID81295761
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-(3-aminobutyl)-4-bromo-3-chlorobenzamide
SMILESCC(N)CCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O/c1-7(14)4-5-15-11(16)8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyZTLUKLZOCRSQFP-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
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4-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832355
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(3-aminobutyl)-4-bromo-3-chlorobenzamide (CID 81295761) is N-(3-aminobutyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(3-aminobutyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(3-aminobutyl)-4-bromo-3-chlorobenzamide is CC(N)CCNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(3-aminobutyl)-4-bromo-3-chlorobenzamide?
The InChIKey is ZTLUKLZOCRSQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-7(14)4-5-15-11(16)8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-4-bromo-3-chlorobenzamide?
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide has a molecular weight of 305.60 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81295761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).