5-amino-N-(2-bromo-3-chlorophenyl)pentanamide

C11H14BrClN2O — CID 103479361

IUPAC5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
SMILESNCCCCC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O/c12-11-8(13)4-3-5-9(11)15-10(16)6-1-2-7-14/h3-5H,1-2,6-7,14H2,(H,15,16)
InChIKeyBYZYEVGCECNJKL-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.17
Rot. Bonds5

About 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide

5-amino-N-(2-bromo-3-chlorophenyl)pentanamide (PubChem CID 103479361) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
PubChem CID103479361
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
SMILESNCCCCC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O/c12-11-8(13)4-3-5-9(11)15-10(16)6-1-2-7-14/h3-5H,1-2,6-7,14H2,(H,15,16)
InChIKeyBYZYEVGCECNJKL-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide?
The IUPAC name of 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide (CID 103479361) is 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide?
The canonical SMILES for 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide is NCCCCC(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide?
The InChIKey is BYZYEVGCECNJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-11-8(13)4-3-5-9(11)15-10(16)6-1-2-7-14/h3-5H,1-2,6-7,14H2,(H,15,16).
What are the key properties of 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide?
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide has a molecular weight of 305.60 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-3-chlorophenyl)pentanamide is sourced from PubChem (CID 103479361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).