5-(4-aminobutanoylamino)-2-chlorobenzamide

C11H14ClN3O2 — CID 43707268

IUPAC5-(4-aminobutanoylamino)-2-chlorobenzamide
SMILESNCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-3-7(6-8(9)11(14)17)15-10(16)2-1-5-13/h3-4,6H,1-2,5,13H2,(H2,14,17)(H,15,16)
InChIKeyUOQGIMPUYUJEFK-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.12
Rot. Bonds5

About 5-(4-aminobutanoylamino)-2-chlorobenzamide

5-(4-aminobutanoylamino)-2-chlorobenzamide (PubChem CID 43707268) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-(4-aminobutanoylamino)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(4-aminobutanoylamino)-2-chlorobenzamide
PubChem CID43707268
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name5-(4-aminobutanoylamino)-2-chlorobenzamide
SMILESNCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-3-7(6-8(9)11(14)17)15-10(16)2-1-5-13/h3-4,6H,1-2,5,13H2,(H2,14,17)(H,15,16)
InChIKeyUOQGIMPUYUJEFK-UHFFFAOYSA-N
XLogP1.12
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
4-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]butanamide;hydrochloride
CID 119327327
5-(4-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712178
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutanoylamino)-2-chlorobenzamide?
The IUPAC name of 5-(4-aminobutanoylamino)-2-chlorobenzamide (CID 43707268) is 5-(4-aminobutanoylamino)-2-chlorobenzamide.
What is the SMILES notation for 5-(4-aminobutanoylamino)-2-chlorobenzamide?
The canonical SMILES for 5-(4-aminobutanoylamino)-2-chlorobenzamide is NCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 5-(4-aminobutanoylamino)-2-chlorobenzamide?
The InChIKey is UOQGIMPUYUJEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-4-3-7(6-8(9)11(14)17)15-10(16)2-1-5-13/h3-4,6H,1-2,5,13H2,(H2,14,17)(H,15,16).
What are the key properties of 5-(4-aminobutanoylamino)-2-chlorobenzamide?
5-(4-aminobutanoylamino)-2-chlorobenzamide has a molecular weight of 255.70 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutanoylamino)-2-chlorobenzamide is sourced from PubChem (CID 43707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).