2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide

C25H23ClN2O2 — CID 108550779

IUPAC2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C25H23ClN2O2/c26-23-9-5-4-8-22(23)24(29)27-21-14-16-28(17-15-21)25(30)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,27,29)
InChIKeyRTBJRMOHYFYZAD-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.04
Rot. Bonds4

About 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide

2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108550779) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108550779
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C25H23ClN2O2/c26-23-9-5-4-8-22(23)24(29)27-21-14-16-28(17-15-21)25(30)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,27,29)
InChIKeyRTBJRMOHYFYZAD-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide (CID 108550779) is 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is RTBJRMOHYFYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c26-23-9-5-4-8-22(23)24(29)27-21-14-16-28(17-15-21)25(30)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,21H,14-17H2,(H,27,29).
What are the key properties of 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide?
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).