3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide

C14H17BrN2O2 — CID 79401552

IUPAC3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C14H17BrN2O2/c1-9-11(3-2-4-12(9)15)14(19)16-8-7-13(18)17-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLWTKXGPBZJBNAV-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.16
Rot. Bonds5

About 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide

3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 79401552) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID79401552
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C14H17BrN2O2/c1-9-11(3-2-4-12(9)15)14(19)16-8-7-13(18)17-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLWTKXGPBZJBNAV-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
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CID 81486868
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
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N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
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CID 78917550
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
N-[3-(cyclopropylamino)-3-oxopropyl]-1H-indole-7-carboxamide
CID 79396451
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
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3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide (CID 79401552) is 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is LWTKXGPBZJBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-11(3-2-4-12(9)15)14(19)16-8-7-13(18)17-10-5-6-10/h2-4,10H,5-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide?
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 325.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 79401552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).