2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide

C12H15BrClNO2 — CID 114295003

IUPAC2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(C)(C)CCl)c1
InChIInChI=1S/C12H15BrClNO2/c1-12(2,7-14)15-11(16)9-6-8(17-3)4-5-10(9)13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyDHNRXKMYYMCBDY-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.20
Rot. Bonds4

About 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide

2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide (PubChem CID 114295003) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide
PubChem CID114295003
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(C)(C)CCl)c1
InChIInChI=1S/C12H15BrClNO2/c1-12(2,7-14)15-11(16)9-6-8(17-3)4-5-10(9)13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyDHNRXKMYYMCBDY-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.20
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

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-bromo-5-methoxybenzamide
CID 61118844
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide
CID 115609106
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
CID 107157131
3-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxybenzamide
CID 114295158
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide (CID 114295003) is 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC(C)(C)CCl)c1.
What is the InChIKey of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide?
The InChIKey is DHNRXKMYYMCBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-12(2,7-14)15-11(16)9-6-8(17-3)4-5-10(9)13/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide?
2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide has a molecular weight of 320.61 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide is sourced from PubChem (CID 114295003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).