2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

C23H24ClN3O3 — CID 55410554

IUPAC2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c1-26(15-17-9-11-18(24)12-10-17)16-22(28)27(2)21-8-4-3-7-20(21)23(29)25-14-19-6-5-13-30-19/h3-13H,14-16H2,1-2H3,(H,25,29)
InChIKeyLBDUKMXDCPSOIY-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.96
Rot. Bonds8

About 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55410554) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID55410554
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c1-26(15-17-9-11-18(24)12-10-17)16-22(28)27(2)21-8-4-3-7-20(21)23(29)25-14-19-6-5-13-30-19/h3-13H,14-16H2,1-2H3,(H,25,29)
InChIKeyLBDUKMXDCPSOIY-UHFFFAOYSA-N
XLogP3.96
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 8913720
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-hydroxybenzoate
CID 55397483
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 18154760
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 43045988
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (CID 55410554) is 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LBDUKMXDCPSOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-26(15-17-9-11-18(24)12-10-17)16-22(28)27(2)21-8-4-3-7-20(21)23(29)25-14-19-6-5-13-30-19/h3-13H,14-16H2,1-2H3,(H,25,29).
What are the key properties of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 425.92 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55410554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).