3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide

C21H24ClFN2O — CID 24964486

IUPAC3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
SMILESCCc1ccc(CN2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClFN2O/c1-2-15-3-5-16(6-4-15)14-25-11-9-18(10-12-25)24-21(26)17-7-8-20(23)19(22)13-17/h3-8,13,18H,2,9-12,14H2,1H3,(H,24,26)
InChIKeyCDNREWKDWTUMNI-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.44
Rot. Bonds5

About 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide

3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 24964486) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID24964486
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
SMILESCCc1ccc(CN2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClFN2O/c1-2-15-3-5-16(6-4-15)14-25-11-9-18(10-12-25)24-21(26)17-7-8-20(23)19(22)13-17/h3-8,13,18H,2,9-12,14H2,1H3,(H,24,26)
InChIKeyCDNREWKDWTUMNI-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide
CID 160876659
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 166296875

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide (CID 24964486) is 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide is CCc1ccc(CN2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)cc1.
What is the InChIKey of 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is CDNREWKDWTUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-2-15-3-5-16(6-4-15)14-25-11-9-18(10-12-25)24-21(26)17-7-8-20(23)19(22)13-17/h3-8,13,18H,2,9-12,14H2,1H3,(H,24,26).
What are the key properties of 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 374.89 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 24964486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).