4-bromo-N,N-diethyl-3-methylbenzamide

C12H16BrNO — CID 18960573

IUPAC4-bromo-N,N-diethyl-3-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C12H16BrNO/c1-4-14(5-2)12(15)10-6-7-11(13)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKeyPVDRRFQPBXBPNQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-N,N-diethyl-3-methylbenzamide

4-bromo-N,N-diethyl-3-methylbenzamide (PubChem CID 18960573) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-3-methylbenzamide
PubChem CID18960573
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-bromo-N,N-diethyl-3-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C12H16BrNO/c1-4-14(5-2)12(15)10-6-7-11(13)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKeyPVDRRFQPBXBPNQ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65369018
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
3-bromo-N,N-diethyl-4-nitrobenzamide
CID 118246728
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-3-methylbenzamide?
The IUPAC name of 4-bromo-N,N-diethyl-3-methylbenzamide (CID 18960573) is 4-bromo-N,N-diethyl-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N,N-diethyl-3-methylbenzamide?
The canonical SMILES for 4-bromo-N,N-diethyl-3-methylbenzamide is CCN(CC)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N,N-diethyl-3-methylbenzamide?
The InChIKey is PVDRRFQPBXBPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-4-14(5-2)12(15)10-6-7-11(13)9(3)8-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N,N-diethyl-3-methylbenzamide?
4-bromo-N,N-diethyl-3-methylbenzamide has a molecular weight of 270.17 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-3-methylbenzamide is sourced from PubChem (CID 18960573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).