(3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C27H27FN2O3 — CID 95091150

About (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091150) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
• PubChem CID: 95091150
• Molecular Formula: C27H27FN2O3
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.20
• IUPAC Name: (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
• SMILES: C[C@@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1
• InChI: InChI=1S/C27H27FN2O3/c1-18(11-12-19-7-3-2-4-8-19)29-26(31)21-15-20-16-22(13-14-25(20)33-17-21)30-27(32)23-9-5-6-10-24(23)28/h2-10,13-14,16,18,21H,11-12,15,17H2,1H3,(H,29,31)(H,30,32)/t18-,21+/m0/s1
• InChIKey: UQNFTNDUUYTCPF-GHTZIAJQSA-N
• XLogP: 4.77
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

The IUPAC name of (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091150) is (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

What is the SMILES notation for (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

The canonical SMILES for (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1.

What is the InChIKey of (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

The InChIKey is UQNFTNDUUYTCPF-GHTZIAJQSA-N. The full InChI is InChI=1S/C27H27FN2O3/c1-18(11-12-19-7-3-2-4-8-19)29-26(31)21-15-20-16-22(13-14-25(20)33-17-21)30-27(32)23-9-5-6-10-24(23)28/h2-10,13-14,16,18,21H,11-12,15,17H2,1H3,(H,29,31)(H,30,32)/t18-,21+/m0/s1.

What are the key properties of (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?

(3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).