4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide

C19H19ClFN3O2 — CID 3218437

IUPAC4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccccc1Cl
InChIInChI=1S/C19H19ClFN3O2/c20-15-6-2-1-5-14(15)18(25)22-13-9-11-24(12-10-13)19(26)23-17-8-4-3-7-16(17)21/h1-8,13H,9-12H2,(H,22,25)(H,23,26)
InChIKeyPTXQOUYUMXBTCI-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.91
Rot. Bonds3

About 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide

4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 3218437) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID3218437
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccccc1Cl
InChIInChI=1S/C19H19ClFN3O2/c20-15-6-2-1-5-14(15)18(25)22-13-9-11-24(12-10-13)19(26)23-17-8-4-3-7-16(17)21/h1-8,13H,9-12H2,(H,22,25)(H,23,26)
InChIKeyPTXQOUYUMXBTCI-UHFFFAOYSA-N
XLogP3.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
4-benzamido-N-(2,3-difluorophenyl)piperidine-1-carboxamide
CID 86856267
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
4-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 43814081

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 3218437) is 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is PTXQOUYUMXBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-15-6-2-1-5-14(15)18(25)22-13-9-11-24(12-10-13)19(26)23-17-8-4-3-7-16(17)21/h1-8,13H,9-12H2,(H,22,25)(H,23,26).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide?
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3218437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).