(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide

C30H24FN3O2 — CID 166358172

IUPAC(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESN#Cc1cc(C(=O)NCC(NC(=O)[C@@H]2CCc3ccccc32)c2ccc3ccccc3c2)ccc1F
InChIInChI=1S/C30H24FN3O2/c31-27-14-12-23(16-24(27)17-32)29(35)33-18-28(22-10-9-19-5-1-2-7-21(19)15-22)34-30(36)26-13-11-20-6-3-4-8-25(20)26/h1-10,12,14-16,26,28H,11,13,18H2,(H,33,35)(H,34,36)/t26-,28?/m1/s1
InChIKeySSPHPBFPZVCNSP-HSLSYKTRSA-N
MW477.54 g/mol
LogP5.17
Rot. Bonds6

About (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide

(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 166358172) has the molecular formula C30H24FN3O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID166358172
Molecular FormulaC30H24FN3O2
Molecular Weight477.54 g/mol
Exact Mass477.19
IUPAC Name(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESN#Cc1cc(C(=O)NCC(NC(=O)[C@@H]2CCc3ccccc32)c2ccc3ccccc3c2)ccc1F
InChIInChI=1S/C30H24FN3O2/c31-27-14-12-23(16-24(27)17-32)29(35)33-18-28(22-10-9-19-5-1-2-7-21(19)15-22)34-30(36)26-13-11-20-6-3-4-8-25(20)26/h1-10,12,14-16,26,28H,11,13,18H2,(H,33,35)(H,34,36)/t26-,28?/m1/s1
InChIKeySSPHPBFPZVCNSP-HSLSYKTRSA-N
XLogP5.17
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 166358172) is (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide is N#Cc1cc(C(=O)NCC(NC(=O)[C@@H]2CCc3ccccc32)c2ccc3ccccc3c2)ccc1F.
What is the InChIKey of (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is SSPHPBFPZVCNSP-HSLSYKTRSA-N. The full InChI is InChI=1S/C30H24FN3O2/c31-27-14-12-23(16-24(27)17-32)29(35)33-18-28(22-10-9-19-5-1-2-7-21(19)15-22)34-30(36)26-13-11-20-6-3-4-8-25(20)26/h1-10,12,14-16,26,28H,11,13,18H2,(H,33,35)(H,34,36)/t26-,28?/m1/s1.
What are the key properties of (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 166358172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).