2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide

C15H21BrClNO2 — CID 107157131

IUPAC2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(Cl)CC(C)(C)C)c1
InChIInChI=1S/C15H21BrClNO2/c1-15(2,3)8-10(17)9-18-14(19)12-7-11(20-4)5-6-13(12)16/h5-7,10H,8-9H2,1-4H3,(H,18,19)
InChIKeyJOHQBKWROXMSQP-UHFFFAOYSA-N
MW362.70 g/mol
LogP4.23
Rot. Bonds5

About 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide

2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide (PubChem CID 107157131) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
PubChem CID107157131
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC Name2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(Cl)CC(C)(C)C)c1
InChIInChI=1S/C15H21BrClNO2/c1-15(2,3)8-10(17)9-18-14(19)12-7-11(20-4)5-6-13(12)16/h5-7,10H,8-9H2,1-4H3,(H,18,19)
InChIKeyJOHQBKWROXMSQP-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
N-(2-chloro-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 107156830
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide
CID 114295003
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide (CID 107157131) is 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC(Cl)CC(C)(C)C)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide?
The InChIKey is JOHQBKWROXMSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-15(2,3)8-10(17)9-18-14(19)12-7-11(20-4)5-6-13(12)16/h5-7,10H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide?
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide has a molecular weight of 362.70 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide is sourced from PubChem (CID 107157131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).