1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide

C20H21ClFN3O2 — CID 56506760

IUPAC1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)C1
InChIInChI=1S/C20H21ClFN3O2/c21-16-4-1-5-17(22)18(16)20(27)24-15-8-6-13(7-9-15)11-25-10-2-3-14(12-25)19(23)26/h1,4-9,14H,2-3,10-12H2,(H2,23,26)(H,24,27)
InChIKeyKJPUHQOKPHEQGS-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.43
Rot. Bonds5

About 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56506760) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56506760
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)C1
InChIInChI=1S/C20H21ClFN3O2/c21-16-4-1-5-17(22)18(16)20(27)24-15-8-6-13(7-9-15)11-25-10-2-3-14(12-25)19(23)26/h1,4-9,14H,2-3,10-12H2,(H2,23,26)(H,24,27)
InChIKeyKJPUHQOKPHEQGS-UHFFFAOYSA-N
XLogP3.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507529
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 56506760) is 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)C1.
What is the InChIKey of 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is KJPUHQOKPHEQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-4-1-5-17(22)18(16)20(27)24-15-8-6-13(7-9-15)11-25-10-2-3-14(12-25)19(23)26/h1,4-9,14H,2-3,10-12H2,(H2,23,26)(H,24,27).
What are the key properties of 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56506760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).