2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

C31H22Cl2N2O3 — CID 5052270

About 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 5052270) has the molecular formula C31H22Cl2N2O3 and a molecular weight of 541.43 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 5052270
• Molecular Formula: C31H22Cl2N2O3
• Molecular Weight: 541.43 g/mol
• Exact Mass: 540.10
• IUPAC Name: 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc4ccccc24)C3)cc1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C31H22Cl2N2O3/c32-22-10-13-26(27(33)17-22)30(36)34-23-11-8-20(9-12-23)29-16-21-18-35(15-14-28(21)38-29)31(37)25-7-3-5-19-4-1-2-6-24(19)25/h1-13,16-17H,14-15,18H2,(H,34,36)
• InChIKey: UBWCYPLOTJJBAV-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.43
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 5052270) is 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc4ccccc24)C3)cc1)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The InChIKey is UBWCYPLOTJJBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl2N2O3/c32-22-10-13-26(27(33)17-22)30(36)34-23-11-8-20(9-12-23)29-16-21-18-35(15-14-28(21)38-29)31(37)25-7-3-5-19-4-1-2-6-24(19)25/h1-13,16-17H,14-15,18H2,(H,34,36).

What are the key properties of 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 541.43 g/mol, XLogP of 7.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 5052270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).