4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide

C13H18BrNO2 — CID 104578560

IUPAC4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1cc(C(=O)NCCOC(C)C)ccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(2)17-7-6-15-13(16)11-4-5-12(14)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyWAMQIOYGLZQDRV-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.91
Rot. Bonds5

About 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide

4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 104578560) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID104578560
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCc1cc(C(=O)NCCOC(C)C)ccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(2)17-7-6-15-13(16)11-4-5-12(14)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyWAMQIOYGLZQDRV-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.91
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-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
2-bromo-3-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766575
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
4-[(4-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 113396656
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide (CID 104578560) is 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide is Cc1cc(C(=O)NCCOC(C)C)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is WAMQIOYGLZQDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(2)17-7-6-15-13(16)11-4-5-12(14)10(3)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide?
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 2.91, 5 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-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 104578560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).