N-(4-aminophenyl)-2-bromopropanamide

C9H11BrN2O — CID 57300084

IUPACN-(4-aminophenyl)-2-bromopropanamide
SMILESCC(Br)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H11BrN2O/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyXUVYUAPNYVMDRC-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.99
Rot. Bonds2

About N-(4-aminophenyl)-2-bromopropanamide

N-(4-aminophenyl)-2-bromopropanamide (PubChem CID 57300084) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-bromopropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-bromopropanamide
PubChem CID57300084
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(4-aminophenyl)-2-bromopropanamide
SMILESCC(Br)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H11BrN2O/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)
InChIKeyXUVYUAPNYVMDRC-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
2-bromo-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 107903873
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-bromopropanamide?
The IUPAC name of N-(4-aminophenyl)-2-bromopropanamide (CID 57300084) is N-(4-aminophenyl)-2-bromopropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-bromopropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-bromopropanamide is CC(Br)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-bromopropanamide?
The InChIKey is XUVYUAPNYVMDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of N-(4-aminophenyl)-2-bromopropanamide?
N-(4-aminophenyl)-2-bromopropanamide has a molecular weight of 243.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-bromopropanamide is sourced from PubChem (CID 57300084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).