4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide

C15H22BrNO2 — CID 113338751

IUPAC4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCc1cc(C(=O)NCCCOCC(C)C)ccc1Br
InChIInChI=1S/C15H22BrNO2/c1-11(2)10-19-8-4-7-17-15(18)13-5-6-14(16)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyHTCBDLPXBOIQIW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.55
Rot. Bonds7

About 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide

4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 113338751) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID113338751
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCc1cc(C(=O)NCCCOCC(C)C)ccc1Br
InChIInChI=1S/C15H22BrNO2/c1-11(2)10-19-8-4-7-17-15(18)13-5-6-14(16)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyHTCBDLPXBOIQIW-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.55
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

4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
4-bromo-N-[2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111402411
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide (CID 113338751) is 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide is Cc1cc(C(=O)NCCCOCC(C)C)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is HTCBDLPXBOIQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11(2)10-19-8-4-7-17-15(18)13-5-6-14(16)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 328.25 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 113338751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).