5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide

C19H19ClN2O2 — CID 68831202

IUPAC5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c20-15-6-7-16(17(12-15)18(21)23)19(24)22-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H2,21,23)
InChIKeyXKWWUFOPCOPUNM-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.46
Rot. Bonds3

About 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide

5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide (PubChem CID 68831202) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
PubChem CID68831202
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c20-15-6-7-16(17(12-15)18(21)23)19(24)22-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H2,21,23)
InChIKeyXKWWUFOPCOPUNM-UHFFFAOYSA-N
XLogP3.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
(2,4-dichlorophenyl)-(3-phenylazepan-1-yl)methanone
CID 121130881
[2-fluoro-5-(tetrazol-1-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 71946734
(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660786
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
(2,4-dichlorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522375
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide?
The IUPAC name of 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide (CID 68831202) is 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide is NC(=O)c1cc(Cl)ccc1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide?
The InChIKey is XKWWUFOPCOPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-15-6-7-16(17(12-15)18(21)23)19(24)22-10-8-14(9-11-22)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H2,21,23).
What are the key properties of 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide?
5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 68831202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).