3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C32H31ClN2O3 — CID 118063089

IUPAC3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C32H31ClN2O3/c1-35-18-16-29(17-19-35)38-28-13-8-23(9-14-28)22-6-11-27(12-7-22)34-32(36)25-10-15-31(37-2)30(21-25)24-4-3-5-26(33)20-24/h3-15,20-21,29H,16-19H2,1-2H3,(H,34,36)
InChIKeyRZEJRONKXWRWLC-UHFFFAOYSA-N
MW527.06 g/mol
LogP7.41
Rot. Bonds7

About 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063089) has the molecular formula C32H31ClN2O3 and a molecular weight of 527.06 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063089
Molecular FormulaC32H31ClN2O3
Molecular Weight527.06 g/mol
Exact Mass526.20
IUPAC Name3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C32H31ClN2O3/c1-35-18-16-29(17-19-35)38-28-13-8-23(9-14-28)22-6-11-27(12-7-22)34-32(36)25-10-15-31(37-2)30(21-25)24-4-3-5-26(33)20-24/h3-15,20-21,29H,16-19H2,1-2H3,(H,34,36)
InChIKeyRZEJRONKXWRWLC-UHFFFAOYSA-N
XLogP7.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.06
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063089) is 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is RZEJRONKXWRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN2O3/c1-35-18-16-29(17-19-35)38-28-13-8-23(9-14-28)22-6-11-27(12-7-22)34-32(36)25-10-15-31(37-2)30(21-25)24-4-3-5-26(33)20-24/h3-15,20-21,29H,16-19H2,1-2H3,(H,34,36).
What are the key properties of 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 527.06 g/mol, XLogP of 7.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).