1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide

C20H19ClFN3O3 — CID 55642498

IUPAC1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C20H19ClFN3O3/c21-13-5-6-16(22)15(11-13)19(27)24-17-4-2-1-3-14(17)20(28)25-9-7-12(8-10-25)18(23)26/h1-6,11-12H,7-10H2,(H2,23,26)(H,24,27)
InChIKeyUHEGJTCJVHEOQL-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide

1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide (PubChem CID 55642498) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
PubChem CID55642498
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C20H19ClFN3O3/c21-13-5-6-16(22)15(11-13)19(27)24-17-4-2-1-3-14(17)20(28)25-9-7-12(8-10-25)18(23)26/h1-6,11-12H,7-10H2,(H2,23,26)(H,24,27)
InChIKeyUHEGJTCJVHEOQL-UHFFFAOYSA-N
XLogP3.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
CID 119422864
2,3,4,5-tetrafluoro-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 71890005
1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544490
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide (CID 55642498) is 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is UHEGJTCJVHEOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c21-13-5-6-16(22)15(11-13)19(27)24-17-4-2-1-3-14(17)20(28)25-9-7-12(8-10-25)18(23)26/h1-6,11-12H,7-10H2,(H2,23,26)(H,24,27).
What are the key properties of 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide?
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 403.84 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55642498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).