4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide

C33H34ClN3O2 — CID 10187162

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCC(c2cccc3ccccc23)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H34ClN3O2/c34-28-14-10-27(11-15-28)33(39)36-29-16-12-26(13-17-29)32(38)35-20-3-4-21-37-22-18-25(19-23-37)31-9-5-7-24-6-1-2-8-30(24)31/h1-2,5-17,25H,3-4,18-23H2,(H,35,38)(H,36,39)
InChIKeyUREGQVHUAKSAPZ-UHFFFAOYSA-N
MW540.11 g/mol
LogP7.14
Rot. Bonds9

About 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide (PubChem CID 10187162) has the molecular formula C33H34ClN3O2 and a molecular weight of 540.11 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide
PubChem CID10187162
Molecular FormulaC33H34ClN3O2
Molecular Weight540.11 g/mol
Exact Mass539.23
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCC(c2cccc3ccccc23)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H34ClN3O2/c34-28-14-10-27(11-15-28)33(39)36-29-16-12-26(13-17-29)32(38)35-20-3-4-21-37-22-18-25(19-23-37)31-9-5-7-24-6-1-2-8-30(24)31/h1-2,5-17,25H,3-4,18-23H2,(H,35,38)(H,36,39)
InChIKeyUREGQVHUAKSAPZ-UHFFFAOYSA-N
XLogP7.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.11
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide (CID 10187162) is 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide is O=C(NCCCCN1CCC(c2cccc3ccccc23)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide?
The InChIKey is UREGQVHUAKSAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN3O2/c34-28-14-10-27(11-15-28)33(39)36-29-16-12-26(13-17-29)32(38)35-20-3-4-21-37-22-18-25(19-23-37)31-9-5-7-24-6-1-2-8-30(24)31/h1-2,5-17,25H,3-4,18-23H2,(H,35,38)(H,36,39).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide has a molecular weight of 540.11 g/mol, XLogP of 7.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-(4-naphthalen-1-ylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 10187162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).