4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide

C28H31ClN2O2 — CID 10457091

IUPAC4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C28H31ClN2O2/c1-19(2)31-16-14-22(15-17-31)26-18-25(12-13-27(26)33-3)30-28(32)23-6-4-20(5-7-23)21-8-10-24(29)11-9-21/h4-13,18-19,22H,14-17H2,1-3H3,(H,30,32)
InChIKeyUVACCYBDIVEKAX-UHFFFAOYSA-N
MW463.02 g/mol
LogP6.86
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide

4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide (PubChem CID 10457091) has the molecular formula C28H31ClN2O2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
PubChem CID10457091
Molecular FormulaC28H31ClN2O2
Molecular Weight463.02 g/mol
Exact Mass462.21
IUPAC Name4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C28H31ClN2O2/c1-19(2)31-16-14-22(15-17-31)26-18-25(12-13-27(26)33-3)30-28(32)23-6-4-20(5-7-23)21-8-10-24(29)11-9-21/h4-13,18-19,22H,14-17H2,1-3H3,(H,30,32)
InChIKeyUVACCYBDIVEKAX-UHFFFAOYSA-N
XLogP6.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide (CID 10457091) is 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide?
The InChIKey is UVACCYBDIVEKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2/c1-19(2)31-16-14-22(15-17-31)26-18-25(12-13-27(26)33-3)30-28(32)23-6-4-20(5-7-23)21-8-10-24(29)11-9-21/h4-13,18-19,22H,14-17H2,1-3H3,(H,30,32).
What are the key properties of 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide?
4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide has a molecular weight of 463.02 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 10457091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).