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

C11H15BrN2O — CID 43549447

IUPACN-(4-amino-2-bromophenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-2-3-4-11(15)14-10-6-5-8(13)7-9(10)12/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyYPNVYELCOXJPLE-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.16
Rot. Bonds4

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

N-(4-amino-2-bromophenyl)pentanamide (PubChem CID 43549447) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)pentanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)pentanamide
PubChem CID43549447
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(4-amino-2-bromophenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-2-3-4-11(15)14-10-6-5-8(13)7-9(10)12/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyYPNVYELCOXJPLE-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.16
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)butanamide
CID 43549445
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
CID 118881902
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
CID 43549510
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)pentanamide?
The IUPAC name of N-(4-amino-2-bromophenyl)pentanamide (CID 43549447) is N-(4-amino-2-bromophenyl)pentanamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)pentanamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)pentanamide is CCCCC(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)pentanamide?
The InChIKey is YPNVYELCOXJPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-3-4-11(15)14-10-6-5-8(13)7-9(10)12/h5-7H,2-4,13H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-2-bromophenyl)pentanamide?
N-(4-amino-2-bromophenyl)pentanamide has a molecular weight of 271.16 g/mol, XLogP of 3.16, 4 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)pentanamide is sourced from PubChem (CID 43549447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).