2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide

C26H27ClN2O — CID 134800875

IUPAC2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(-c2cccc(CN3CCC(NC(=O)c4ccccc4Cl)CC3)c2)c1
InChIInChI=1S/C26H27ClN2O/c1-19-6-4-8-21(16-19)22-9-5-7-20(17-22)18-29-14-12-23(13-15-29)28-26(30)24-10-2-3-11-25(24)27/h2-11,16-17,23H,12-15,18H2,1H3,(H,28,30)
InChIKeyQTXCNGZULHVUBH-UHFFFAOYSA-N
MW418.97 g/mol
LogP5.71
Rot. Bonds5

About 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134800875) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134800875
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(-c2cccc(CN3CCC(NC(=O)c4ccccc4Cl)CC3)c2)c1
InChIInChI=1S/C26H27ClN2O/c1-19-6-4-8-21(16-19)22-9-5-7-20(17-22)18-29-14-12-23(13-15-29)28-26(30)24-10-2-3-11-25(24)27/h2-11,16-17,23H,12-15,18H2,1H3,(H,28,30)
InChIKeyQTXCNGZULHVUBH-UHFFFAOYSA-N
XLogP5.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
2-chloro-N-[1-[[3-(4-methylsulfanylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134801209
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-2-chlorobenzamide
CID 17176573
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
2-[(2-chlorophenyl)methoxy]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 47057697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134800875) is 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide is Cc1cccc(-c2cccc(CN3CCC(NC(=O)c4ccccc4Cl)CC3)c2)c1.
What is the InChIKey of 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is QTXCNGZULHVUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-19-6-4-8-21(16-19)22-9-5-7-20(17-22)18-29-14-12-23(13-15-29)28-26(30)24-10-2-3-11-25(24)27/h2-11,16-17,23H,12-15,18H2,1H3,(H,28,30).
What are the key properties of 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 418.97 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134800875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).