4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid

C20H17ClFNO3 — CID 19372677

IUPAC4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(C=C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1
InChIInChI=1S/C20H17ClFNO3/c21-17-5-3-14(4-6-17)19(24)23-9-7-13(8-10-23)11-15-1-2-16(20(25)26)12-18(15)22/h1-6,11-12H,7-10H2,(H,25,26)
InChIKeyFUEOIPLPACLDON-UHFFFAOYSA-N
MW373.81 g/mol
LogP4.50
Rot. Bonds3

About 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid

4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid (PubChem CID 19372677) has the molecular formula C20H17ClFNO3 and a molecular weight of 373.81 g/mol. Its IUPAC name is 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid
PubChem CID19372677
Molecular FormulaC20H17ClFNO3
Molecular Weight373.81 g/mol
Exact Mass373.09
IUPAC Name4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(C=C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1
InChIInChI=1S/C20H17ClFNO3/c21-17-5-3-14(4-6-17)19(24)23-9-7-13(8-10-23)11-15-1-2-16(20(25)26)12-18(15)22/h1-6,11-12H,7-10H2,(H,25,26)
InChIKeyFUEOIPLPACLDON-UHFFFAOYSA-N
XLogP4.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[3-(4-Chlorophenyl)-2-propenyl]-1-piperazinyl]ethyl]benzoic acid sulfate
CID 71312050
BM 15766
CID 6437849
4-(2-(4-(3-(4-Chlorophenyl)-2-propen-1-yl)-1-piperazinyl)ethyl)benzoic acid
CID 114892
N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-ethyl}-4-fluoro-benzamide
CID 13900361
1-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 21559988
4-(((4-(4-Chlorobenzyl)-1-piperazinyl)imino)methyl)benzoic acid
CID 5347529
4-{[(4-Chlorobenzyl)amino]methyl}benzoic acid
CID 4719964
(2R,4aR,5S,8aR)-5-[(Z)-2-(4-carboxyphenyl)-2-chloroethenyl]-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-7-methyl-2,5,8,8a-tetrahydro-1H-naphthalene-4a-carboxylic acid
CID 145951938
4-[2-[(3-Chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233744
4-[[(5Z)-5-[[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 53377246
[3,5-Bis(trifluoromethyl)phenyl]-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 2809531
4-[[(3,4-Dichlorobenzoyl)amino]methyl]benzoic acid
CID 17171886

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid?
The IUPAC name of 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid (CID 19372677) is 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid is O=C(O)c1ccc(C=C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1.
What is the InChIKey of 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid?
The InChIKey is FUEOIPLPACLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3/c21-17-5-3-14(4-6-17)19(24)23-9-7-13(8-10-23)11-15-1-2-16(20(25)26)12-18(15)22/h1-6,11-12H,7-10H2,(H,25,26).
What are the key properties of 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid?
4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid has a molecular weight of 373.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorobenzoyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid is sourced from PubChem (CID 19372677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).