4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide

C26H20Cl2N2O2 — CID 4857734

IUPAC4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)c1ccc(Cl)cc1)c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C26H20Cl2N2O2/c27-21-12-8-19(9-13-21)25(31)29-16-17-30(26(32)20-10-14-22(28)15-11-20)24-7-3-5-18-4-1-2-6-23(18)24/h1-15H,16-17H2,(H,29,31)
InChIKeyCQYYPHJYNPJYEV-UHFFFAOYSA-N
MW463.36 g/mol
LogP6.22
Rot. Bonds6

About 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide

4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide (PubChem CID 4857734) has the molecular formula C26H20Cl2N2O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide
PubChem CID4857734
Molecular FormulaC26H20Cl2N2O2
Molecular Weight463.36 g/mol
Exact Mass462.09
IUPAC Name4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)c1ccc(Cl)cc1)c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C26H20Cl2N2O2/c27-21-12-8-19(9-13-21)25(31)29-16-17-30(26(32)20-10-14-22(28)15-11-20)24-7-3-5-18-4-1-2-6-23(18)24/h1-15H,16-17H2,(H,29,31)
InChIKeyCQYYPHJYNPJYEV-UHFFFAOYSA-N
XLogP6.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide (CID 4857734) is 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide is O=C(NCCN(C(=O)c1ccc(Cl)cc1)c1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide?
The InChIKey is CQYYPHJYNPJYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2/c27-21-12-8-19(9-13-21)25(31)29-16-17-30(26(32)20-10-14-22(28)15-11-20)24-7-3-5-18-4-1-2-6-23(18)24/h1-15H,16-17H2,(H,29,31).
What are the key properties of 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide?
4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide has a molecular weight of 463.36 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide is sourced from PubChem (CID 4857734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).