N-(4-amino-2-bromophenyl)butanamide

C10H13BrN2O — CID 43549445

IUPACN-(4-amino-2-bromophenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C10H13BrN2O/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyGSRDZIPECJMPAQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.77
Rot. Bonds3

About N-(4-amino-2-bromophenyl)butanamide

N-(4-amino-2-bromophenyl)butanamide (PubChem CID 43549445) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)butanamide
PubChem CID43549445
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(4-amino-2-bromophenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C10H13BrN2O/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyGSRDZIPECJMPAQ-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
CID 43549510
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
N-(2-bromophenyl)butanamide
CID 732405
5-bromo-2-(butanoylamino)benzamide
CID 12989236
N-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-[4-(2,4-diaminoanilino)phenyl]butanamide
CID 54795017
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)butanamide?
The IUPAC name of N-(4-amino-2-bromophenyl)butanamide (CID 43549445) is N-(4-amino-2-bromophenyl)butanamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)butanamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)butanamide is CCCC(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)butanamide?
The InChIKey is GSRDZIPECJMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-3-10(14)13-9-5-4-7(12)6-8(9)11/h4-6H,2-3,12H2,1H3,(H,13,14).
What are the key properties of N-(4-amino-2-bromophenyl)butanamide?
N-(4-amino-2-bromophenyl)butanamide has a molecular weight of 257.13 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)butanamide is sourced from PubChem (CID 43549445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).