N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide

C23H19N3O3 — CID 1069531

IUPACN-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)Nc1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-22(24-15-17-9-6-14-29-17)19-11-3-4-12-21(19)26-23(28)25-20-13-5-8-16-7-1-2-10-18(16)20/h1-14H,15H2,(H,24,27)(H2,25,26,28)
InChIKeyZZLCHFVUOAYWOS-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide

N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide (PubChem CID 1069531) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
PubChem CID1069531
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)Nc1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c27-22(24-15-17-9-6-14-29-17)19-11-3-4-12-21(19)26-23(28)25-20-13-5-8-16-7-1-2-10-18(16)20/h1-14H,15H2,(H,24,27)(H2,25,26,28)
InChIKeyZZLCHFVUOAYWOS-UHFFFAOYSA-N
XLogP5.01
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide (CID 1069531) is N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)Nc1cccc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide?
The InChIKey is ZZLCHFVUOAYWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(24-15-17-9-6-14-29-17)19-11-3-4-12-21(19)26-23(28)25-20-13-5-8-16-7-1-2-10-18(16)20/h1-14H,15H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide?
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide has a molecular weight of 385.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide is sourced from PubChem (CID 1069531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).