3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide

C14H19BrN2O2 — CID 103110545

IUPAC3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H19BrN2O2/c1-5-17(4)14(19)10(3)16-13(18)11-7-6-8-12(15)9(11)2/h6-8,10H,5H2,1-4H3,(H,16,18)
InChIKeyHVHNBZOFSXNOGP-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.35
Rot. Bonds4

About 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide

3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide (PubChem CID 103110545) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide
PubChem CID103110545
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H19BrN2O2/c1-5-17(4)14(19)10(3)16-13(18)11-7-6-8-12(15)9(11)2/h6-8,10H,5H2,1-4H3,(H,16,18)
InChIKeyHVHNBZOFSXNOGP-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 103110775
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 103274844
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103113288
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
3-bromo-2-methyl-N-propan-2-yloxybenzamide
CID 131020955
3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
CID 115409669
2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid
CID 103106848
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide (CID 103110545) is 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide is CCN(C)C(=O)C(C)NC(=O)c1cccc(Br)c1C.
What is the InChIKey of 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide?
The InChIKey is HVHNBZOFSXNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-5-17(4)14(19)10(3)16-13(18)11-7-6-8-12(15)9(11)2/h6-8,10H,5H2,1-4H3,(H,16,18).
What are the key properties of 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide?
3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 103110545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).