2-bromo-3-methoxy-N,N-dimethylbenzamide

C10H12BrNO2 — CID 131254879

IUPAC2-bromo-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-12(2)10(13)7-5-4-6-8(14-3)9(7)11/h4-6H,1-3H3
InChIKeyQUXNFMQSYMQUMM-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.16
Rot. Bonds2

About 2-bromo-3-methoxy-N,N-dimethylbenzamide

2-bromo-3-methoxy-N,N-dimethylbenzamide (PubChem CID 131254879) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-bromo-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methoxy-N,N-dimethylbenzamide
PubChem CID131254879
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-bromo-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1Br
InChIInChI=1S/C10H12BrNO2/c1-12(2)10(13)7-5-4-6-8(14-3)9(7)11/h4-6H,1-3H3
InChIKeyQUXNFMQSYMQUMM-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
2-bromo-3-iodo-N,N-dimethylbenzamide
CID 171921432
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
CID 172648061
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid
CID 177254700
1,2-dibromo-3-methoxybenzene
CID 11958056
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
[2-(dimethylcarbamoyl)phenyl] cyanate
CID 163835020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-bromo-3-methoxy-N,N-dimethylbenzamide (CID 131254879) is 2-bromo-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-bromo-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-bromo-3-methoxy-N,N-dimethylbenzamide is COc1cccc(C(=O)N(C)C)c1Br.
What is the InChIKey of 2-bromo-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is QUXNFMQSYMQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12(2)10(13)7-5-4-6-8(14-3)9(7)11/h4-6H,1-3H3.
What are the key properties of 2-bromo-3-methoxy-N,N-dimethylbenzamide?
2-bromo-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 258.11 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 131254879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).