4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

C23H23BrN2O2 — CID 34215979

IUPAC4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2Br)cc1
InChIInChI=1S/C23H23BrN2O2/c24-22-6-2-1-4-19(22)15-26(16-21-5-3-13-28-21)14-17-7-9-18(10-8-17)23(27)25-20-11-12-20/h1-10,13,20H,11-12,14-16H2,(H,25,27)
InChIKeyGAYDIZDBJJRGMA-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.14
Rot. Bonds8

About 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (PubChem CID 34215979) has the molecular formula C23H23BrN2O2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
PubChem CID34215979
Molecular FormulaC23H23BrN2O2
Molecular Weight439.35 g/mol
Exact Mass438.09
IUPAC Name4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2Br)cc1
InChIInChI=1S/C23H23BrN2O2/c24-22-6-2-1-4-19(22)15-26(16-21-5-3-13-28-21)14-17-7-9-18(10-8-17)23(27)25-20-11-12-20/h1-10,13,20H,11-12,14-16H2,(H,25,27)
InChIKeyGAYDIZDBJJRGMA-UHFFFAOYSA-N
XLogP5.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501
N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
CID 55591167
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(naphthalen-1-ylamino)-3-oxopropyl]amino]methyl]benzamide
CID 43065666
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
CID 34216722

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (CID 34215979) is 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2Br)cc1.
What is the InChIKey of 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The InChIKey is GAYDIZDBJJRGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O2/c24-22-6-2-1-4-19(22)15-26(16-21-5-3-13-28-21)14-17-7-9-18(10-8-17)23(27)25-20-11-12-20/h1-10,13,20H,11-12,14-16H2,(H,25,27).
What are the key properties of 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide has a molecular weight of 439.35 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 34215979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).