3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide

C11H13BrCl2N2O — CID 114001852

IUPAC3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
SMILESCCC(N)CC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-2-6(15)5-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,6H,2,5,15H2,1H3,(H,16,17)
InChIKeyGYXBQMFUHJNHII-UHFFFAOYSA-N
MW340.05 g/mol
LogP3.82
Rot. Bonds4

About 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide

3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide (PubChem CID 114001852) has the molecular formula C11H13BrCl2N2O and a molecular weight of 340.05 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
PubChem CID114001852
Molecular FormulaC11H13BrCl2N2O
Molecular Weight340.05 g/mol
Exact Mass337.96
IUPAC Name3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
SMILESCCC(N)CC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-2-6(15)5-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,6H,2,5,15H2,1H3,(H,16,17)
InChIKeyGYXBQMFUHJNHII-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromo-2,3-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 114001552
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244
4-(4-bromo-2,3-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 113428627
2-(2-aminophenyl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107786724
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
3-amino-N-phenylpentanamide
CID 79006475
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
CID 107788701
4-bromo-2,3-dichloro-N-pentan-3-ylaniline
CID 107788059
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide?
The IUPAC name of 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide (CID 114001852) is 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide is CCC(N)CC(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide?
The InChIKey is GYXBQMFUHJNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O/c1-2-6(15)5-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,6H,2,5,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide?
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide has a molecular weight of 340.05 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide is sourced from PubChem (CID 114001852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).