3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide

C24H25ClN2O3 — CID 11611586

IUPAC3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
SMILESCNC(=O)C(Cc1cccc2ccccc12)NC(=O)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C24H25ClN2O3/c1-15(2)30-22-12-11-18(13-20(22)25)23(28)27-21(24(29)26-3)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,15,21H,14H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyHNNHBQAFXISLCN-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.37
Rot. Bonds7

About 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide

3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 11611586) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID11611586
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
SMILESCNC(=O)C(Cc1cccc2ccccc12)NC(=O)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C24H25ClN2O3/c1-15(2)30-22-12-11-18(13-20(22)25)23(28)27-21(24(29)26-3)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,15,21H,14H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyHNNHBQAFXISLCN-UHFFFAOYSA-N
XLogP4.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide (CID 11611586) is 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide is CNC(=O)C(Cc1cccc2ccccc12)NC(=O)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is HNNHBQAFXISLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-15(2)30-22-12-11-18(13-20(22)25)23(28)27-21(24(29)26-3)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,15,21H,14H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide?
3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 424.93 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 11611586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).