3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide

C13H18BrNO — CID 104851891

IUPAC3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)cc(Br)c1)C(C)C
InChIInChI=1S/C13H18BrNO/c1-5-15(9(2)3)13(16)11-6-10(4)7-12(14)8-11/h6-9H,5H2,1-4H3
InChIKeyFUCYQWZTHXFOSI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.63
Rot. Bonds3

About 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide

3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide (PubChem CID 104851891) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
PubChem CID104851891
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)cc(Br)c1)C(C)C
InChIInChI=1S/C13H18BrNO/c1-5-15(9(2)3)13(16)11-6-10(4)7-12(14)8-11/h6-9H,5H2,1-4H3
InChIKeyFUCYQWZTHXFOSI-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
N-(2-amino-2-sulfanylideneethyl)-3,5-dibromo-N-propan-2-ylbenzamide
CID 107972248
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide (CID 104851891) is 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide is CCN(C(=O)c1cc(C)cc(Br)c1)C(C)C.
What is the InChIKey of 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide?
The InChIKey is FUCYQWZTHXFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-5-15(9(2)3)13(16)11-6-10(4)7-12(14)8-11/h6-9H,5H2,1-4H3.
What are the key properties of 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide?
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 104851891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).