4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C13H17BrN2O2 — CID 113339013

IUPAC4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H17BrN2O2/c1-9-8-10(4-5-11(9)14)13(18)16(3)7-6-12(17)15-2/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyDJZBHBOFFIDRIS-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.97
Rot. Bonds4

About 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide

4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 113339013) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID113339013
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H17BrN2O2/c1-9-8-10(4-5-11(9)14)13(18)16(3)7-6-12(17)15-2/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyDJZBHBOFFIDRIS-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[(4-bromo-3-methylbenzoyl)-methylamino]propanoate
CID 112705954
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106915205
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 56900068

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 113339013) is 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is DJZBHBOFFIDRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-8-10(4-5-11(9)14)13(18)16(3)7-6-12(17)15-2/h4-5,8H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 313.20 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 113339013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).