3-bromo-N-ethyl-5-methyl-N-propylbenzamide

C13H18BrNO — CID 104851893

IUPAC3-bromo-N-ethyl-5-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-4-6-15(5-2)13(16)11-7-10(3)8-12(14)9-11/h7-9H,4-6H2,1-3H3
InChIKeyRGGJWMVYGATWQG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.63
Rot. Bonds4

About 3-bromo-N-ethyl-5-methyl-N-propylbenzamide

3-bromo-N-ethyl-5-methyl-N-propylbenzamide (PubChem CID 104851893) 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-propylbenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methyl-N-propylbenzamide
PubChem CID104851893
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-N-ethyl-5-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-4-6-15(5-2)13(16)11-7-10(3)8-12(14)9-11/h7-9H,4-6H2,1-3H3
InChIKeyRGGJWMVYGATWQG-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460828
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
3-chloro-N-(2-chloroethyl)-N-ethyl-5-methylbenzamide
CID 81324424
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methyl-N-propylbenzamide?
The IUPAC name of 3-bromo-N-ethyl-5-methyl-N-propylbenzamide (CID 104851893) is 3-bromo-N-ethyl-5-methyl-N-propylbenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methyl-N-propylbenzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methyl-N-propylbenzamide is CCCN(CC)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-5-methyl-N-propylbenzamide?
The InChIKey is RGGJWMVYGATWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-6-15(5-2)13(16)11-7-10(3)8-12(14)9-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-bromo-N-ethyl-5-methyl-N-propylbenzamide?
3-bromo-N-ethyl-5-methyl-N-propylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.63, 4 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-propylbenzamide is sourced from PubChem (CID 104851893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).