4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide

C22H21BrN2O3 — CID 41286081

IUPAC4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)CCNC(=O)c3ccc(Br)cc3)ccc2c1
InChIInChI=1S/C22H21BrN2O3/c1-28-20-9-6-17-12-15(2-3-18(17)13-20)14-25-21(26)10-11-24-22(27)16-4-7-19(23)8-5-16/h2-9,12-13H,10-11,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyPIZPKSFDLGBYIU-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.05
Rot. Bonds7

About 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide

4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide (PubChem CID 41286081) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
PubChem CID41286081
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)CCNC(=O)c3ccc(Br)cc3)ccc2c1
InChIInChI=1S/C22H21BrN2O3/c1-28-20-9-6-17-12-15(2-3-18(17)13-20)14-25-21(26)10-11-24-22(27)16-4-7-19(23)8-5-16/h2-9,12-13H,10-11,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyPIZPKSFDLGBYIU-UHFFFAOYSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
4-bromo-N-[(2S)-1-[(6-methoxynaphthalen-2-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 41286103
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 24598993
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
CID 25402488
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
4-fluoro-N-[2-(7-methoxynaphthalen-2-yl)ethyl]benzamide
CID 19021877
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
4-bromo-N-[3-[[3-(cyanomethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 86946585
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide (CID 41286081) is 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide is COc1ccc2cc(CNC(=O)CCNC(=O)c3ccc(Br)cc3)ccc2c1.
What is the InChIKey of 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is PIZPKSFDLGBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-28-20-9-6-17-12-15(2-3-18(17)13-20)14-25-21(26)10-11-24-22(27)16-4-7-19(23)8-5-16/h2-9,12-13H,10-11,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 441.33 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 41286081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).