N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide

C23H25ClN2O2 — CID 78881908

IUPACN-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C23H25ClN2O2/c1-3-16(2)26-23(27)18-8-6-7-17(13-18)14-25-15-19-11-12-22(28-19)20-9-4-5-10-21(20)24/h4-13,16,25H,3,14-15H2,1-2H3,(H,26,27)
InChIKeyHOIZTVUVZXSETC-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.42
Rot. Bonds8

About N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide

N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide (PubChem CID 78881908) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide
PubChem CID78881908
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C23H25ClN2O2/c1-3-16(2)26-23(27)18-8-6-7-17(13-18)14-25-15-19-11-12-22(28-19)20-9-4-5-10-21(20)24/h4-13,16,25H,3,14-15H2,1-2H3,(H,26,27)
InChIKeyHOIZTVUVZXSETC-UHFFFAOYSA-N
XLogP5.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide (CID 78881908) is N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNCc2ccc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide?
The InChIKey is HOIZTVUVZXSETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-3-16(2)26-23(27)18-8-6-7-17(13-18)14-25-15-19-11-12-22(28-19)20-9-4-5-10-21(20)24/h4-13,16,25H,3,14-15H2,1-2H3,(H,26,27).
What are the key properties of N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide?
N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide has a molecular weight of 396.92 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 78881908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).