3-amino-5-bromo-N-(3-propoxypropyl)benzamide

C13H19BrN2O2 — CID 82949916

IUPAC3-amino-5-bromo-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-2-5-18-6-3-4-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyZZLFJBIBVLQTCF-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.58
Rot. Bonds7

About 3-amino-5-bromo-N-(3-propoxypropyl)benzamide

3-amino-5-bromo-N-(3-propoxypropyl)benzamide (PubChem CID 82949916) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-propoxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-propoxypropyl)benzamide
PubChem CID82949916
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-amino-5-bromo-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-2-5-18-6-3-4-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyZZLFJBIBVLQTCF-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
CID 106233317
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
3-bromo-N-[3-(2-methoxyethoxy)propyl]-5-methylbenzamide
CID 104852499
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3-bromo-N-[3-(2-chloroethoxy)propyl]-5-methylbenzamide
CID 114171378
3,5-diamino-N-propylbenzamide
CID 20701636
1-(3-amino-5-bromophenyl)-2-propoxyethanone
CID 116597183
3,5-diamino-N-hexadecylbenzamide
CID 54469516

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-propoxypropyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(3-propoxypropyl)benzamide (CID 82949916) is 3-amino-5-bromo-N-(3-propoxypropyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-propoxypropyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-propoxypropyl)benzamide is CCCOCCCNC(=O)c1cc(N)cc(Br)c1.
What is the InChIKey of 3-amino-5-bromo-N-(3-propoxypropyl)benzamide?
The InChIKey is ZZLFJBIBVLQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-5-18-6-3-4-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-bromo-N-(3-propoxypropyl)benzamide?
3-amino-5-bromo-N-(3-propoxypropyl)benzamide has a molecular weight of 315.21 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3-propoxypropyl)benzamide is sourced from PubChem (CID 82949916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).