2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

C14H19BrN2O2 — CID 112704947

IUPAC2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC(C)C)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-9(2)7-16-13(18)8-17-14(19)11-5-4-10(3)6-12(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLPHBFZVOYNSHDY-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.26
Rot. Bonds5

About 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 112704947) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID112704947
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC(C)C)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-9(2)7-16-13(18)8-17-14(19)11-5-4-10(3)6-12(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLPHBFZVOYNSHDY-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
CID 106165114
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
5-[(2-bromo-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440669
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107034416
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 112704947) is 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NCC(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is LPHBFZVOYNSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(2)7-16-13(18)8-17-14(19)11-5-4-10(3)6-12(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112704947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).