1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C23H24ClF2N3O2 — CID 177192269

About 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177192269) has the molecular formula C23H24ClF2N3O2 and a molecular weight of 447.91 g/mol. Its IUPAC name is 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• PubChem CID: 177192269
• Molecular Formula: C23H24ClF2N3O2
• Molecular Weight: 447.91 g/mol
• Exact Mass: 447.15
• IUPAC Name: 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• SMILES: CCC1CCCC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.Fc1cccc(Cl)c1F
• InChI: InChI=1S/C17H21N3O2.C6H3ClF2/c1-2-10-4-3-5-11(8-10)13-9-14(21)15-12(20-13)6-7-19-16(15)17(18)22;7-4-2-1-3-5(8)6(4)9/h6-7,9-11H,2-5,8H2,1H3,(H2,18,22)(H,20,21);1-3H
• InChIKey: NMSONEXRKDGITG-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 88.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.91
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The IUPAC name of 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177192269) is 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

What is the SMILES notation for 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The canonical SMILES for 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CCC1CCCC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.Fc1cccc(Cl)c1F.

What is the InChIKey of 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The InChIKey is NMSONEXRKDGITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C6H3ClF2/c1-2-10-4-3-5-11(8-10)13-9-14(21)15-12(20-13)6-7-19-16(15)17(18)22;7-4-2-1-3-5(8)6(4)9/h6-7,9-11H,2-5,8H2,1H3,(H2,18,22)(H,20,21);1-3H.

What are the key properties of 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 447.91 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2,3-difluorobenzene;2-(3-ethylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177192269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).