4-bromo-N-(3-ethoxypropyl)benzamide

C12H16BrNO2 — CID 2180101

IUPAC4-bromo-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-2-16-9-3-8-14-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWWFSKONDOUBGPV-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.61
Rot. Bonds6

About 4-bromo-N-(3-ethoxypropyl)benzamide

4-bromo-N-(3-ethoxypropyl)benzamide (PubChem CID 2180101) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxypropyl)benzamide
PubChem CID2180101
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-2-16-9-3-8-14-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWWFSKONDOUBGPV-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
4-bromo-N,N-dimethylbenzamide
CID 140389
2-Bromo-N-methylbenzamide
CID 264945
2-((4-Bromophenyl)formamido)acetic acid
CID 736919
Bromadoline
CID 54753
3-bromo-N-(3-(tert-butylamino)propyl)benzamide
CID 78673861
Benzamide, N-tetrahydrofurfuryl-3-bromo-
CID 531994
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
n-Benzyl-4-bromobenzamide
CID 781117
3-bromo-N-cyclopropylbenzamide
CID 896152

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-bromo-N-(3-ethoxypropyl)benzamide (CID 2180101) is 4-bromo-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-ethoxypropyl)benzamide?
The InChIKey is WWFSKONDOUBGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-16-9-3-8-14-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 4-bromo-N-(3-ethoxypropyl)benzamide?
4-bromo-N-(3-ethoxypropyl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 2180101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).