5-(6-aminohexanoylamino)-2-chlorobenzamide

C13H18ClN3O2 — CID 43707251

IUPAC5-(6-aminohexanoylamino)-2-chlorobenzamide
SMILESNCCCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-6-5-9(8-10(11)13(16)19)17-12(18)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H2,16,19)(H,17,18)
InChIKeySSBJHMPHEWMYMV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.90
Rot. Bonds7

About 5-(6-aminohexanoylamino)-2-chlorobenzamide

5-(6-aminohexanoylamino)-2-chlorobenzamide (PubChem CID 43707251) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(6-aminohexanoylamino)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(6-aminohexanoylamino)-2-chlorobenzamide
PubChem CID43707251
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-(6-aminohexanoylamino)-2-chlorobenzamide
SMILESNCCCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H18ClN3O2/c14-11-6-5-9(8-10(11)13(16)19)17-12(18)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H2,16,19)(H,17,18)
InChIKeySSBJHMPHEWMYMV-UHFFFAOYSA-N
XLogP1.90
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
3-[[5-(6-aminohexanoylamino)-2-chlorobenzoyl]amino]propanoic acid
CID 19996441
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
7-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]heptanamide
CID 119790101
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
4-(6-aminohexanoylamino)benzamide
CID 24702559
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminohexanoylamino)-2-chlorobenzamide?
The IUPAC name of 5-(6-aminohexanoylamino)-2-chlorobenzamide (CID 43707251) is 5-(6-aminohexanoylamino)-2-chlorobenzamide.
What is the SMILES notation for 5-(6-aminohexanoylamino)-2-chlorobenzamide?
The canonical SMILES for 5-(6-aminohexanoylamino)-2-chlorobenzamide is NCCCCCC(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 5-(6-aminohexanoylamino)-2-chlorobenzamide?
The InChIKey is SSBJHMPHEWMYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-6-5-9(8-10(11)13(16)19)17-12(18)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H2,16,19)(H,17,18).
What are the key properties of 5-(6-aminohexanoylamino)-2-chlorobenzamide?
5-(6-aminohexanoylamino)-2-chlorobenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminohexanoylamino)-2-chlorobenzamide is sourced from PubChem (CID 43707251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).