N-benzyl-3-bromo-4-methyl-N-propylbenzamide

C18H20BrNO — CID 81458013

IUPACN-benzyl-3-bromo-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H20BrNO/c1-3-11-20(13-15-7-5-4-6-8-15)18(21)16-10-9-14(2)17(19)12-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyPMEWLMFIKQMOTG-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.81
Rot. Bonds5

About N-benzyl-3-bromo-4-methyl-N-propylbenzamide

N-benzyl-3-bromo-4-methyl-N-propylbenzamide (PubChem CID 81458013) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-methyl-N-propylbenzamide
PubChem CID81458013
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-benzyl-3-bromo-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H20BrNO/c1-3-11-20(13-15-7-5-4-6-8-15)18(21)16-10-9-14(2)17(19)12-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyPMEWLMFIKQMOTG-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
CID 4511439
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-methyl-N-propylbenzamide?
The IUPAC name of N-benzyl-3-bromo-4-methyl-N-propylbenzamide (CID 81458013) is N-benzyl-3-bromo-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-benzyl-3-bromo-4-methyl-N-propylbenzamide?
The canonical SMILES for N-benzyl-3-bromo-4-methyl-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of N-benzyl-3-bromo-4-methyl-N-propylbenzamide?
The InChIKey is PMEWLMFIKQMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-3-11-20(13-15-7-5-4-6-8-15)18(21)16-10-9-14(2)17(19)12-16/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of N-benzyl-3-bromo-4-methyl-N-propylbenzamide?
N-benzyl-3-bromo-4-methyl-N-propylbenzamide has a molecular weight of 346.27 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-methyl-N-propylbenzamide is sourced from PubChem (CID 81458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).