4-amino-3-bromo-N-(3-methoxypropyl)benzamide

C11H15BrN2O2 — CID 54850356

IUPAC4-amino-3-bromo-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-16-6-2-5-14-11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyUJQPDCPBBBQQDQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-3-bromo-N-(3-methoxypropyl)benzamide

4-amino-3-bromo-N-(3-methoxypropyl)benzamide (PubChem CID 54850356) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(3-methoxypropyl)benzamide
PubChem CID54850356
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-amino-3-bromo-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-16-6-2-5-14-11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyUJQPDCPBBBQQDQ-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.80
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

4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
2-bromo-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368304
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
methyl 4-[(3-amino-4-bromobenzoyl)amino]butanoate
CID 114003913
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-(3-methoxypropyl)benzamide (CID 54850356) is 4-amino-3-bromo-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(3-methoxypropyl)benzamide?
The InChIKey is UJQPDCPBBBQQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-16-6-2-5-14-11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-bromo-N-(3-methoxypropyl)benzamide?
4-amino-3-bromo-N-(3-methoxypropyl)benzamide has a molecular weight of 287.16 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54850356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).