1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide

C22H25ClF2N2O — CID 134800670

IUPAC1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NCC(F)F)CC2)cc1Cl
InChIInChI=1S/C22H25ClF2N2O/c1-15-6-7-17(12-20(15)23)19-5-3-2-4-18(19)14-27-10-8-16(9-11-27)22(28)26-13-21(24)25/h2-7,12,16,21H,8-11,13-14H2,1H3,(H,26,28)
InChIKeyXDTWCGGCZCVURS-UHFFFAOYSA-N
MW406.90 g/mol
LogP4.91
Rot. Bonds6

About 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide

1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide (PubChem CID 134800670) has the molecular formula C22H25ClF2N2O and a molecular weight of 406.90 g/mol. Its IUPAC name is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide
PubChem CID134800670
Molecular FormulaC22H25ClF2N2O
Molecular Weight406.90 g/mol
Exact Mass406.16
IUPAC Name1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCC(C(=O)NCC(F)F)CC2)cc1Cl
InChIInChI=1S/C22H25ClF2N2O/c1-15-6-7-17(12-20(15)23)19-5-3-2-4-18(19)14-27-10-8-16(9-11-27)22(28)26-13-21(24)25/h2-7,12,16,21H,8-11,13-14H2,1H3,(H,26,28)
InChIKeyXDTWCGGCZCVURS-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 24857886
2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 46931619
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]propanamide
CID 46931852
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 56962365
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-acetamide
CID 11314302
3-[1-(3-chlorobenzyl)piperidin-3-yl]-N-(2-fluorobenzyl)propanamide
CID 16190776
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-(2-methylbenzyl)acetamide
CID 16192484
N-benzyl-1-(4-chlorobenzyl)piperidine-4-carboxamide
CID 25249192
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]-N-piperidin-4-ylpropanamide
CID 44322525
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448515
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448554

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide (CID 134800670) is 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide is Cc1ccc(-c2ccccc2CN2CCC(C(=O)NCC(F)F)CC2)cc1Cl.
What is the InChIKey of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
The InChIKey is XDTWCGGCZCVURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N2O/c1-15-6-7-17(12-20(15)23)19-5-3-2-4-18(19)14-27-10-8-16(9-11-27)22(28)26-13-21(24)25/h2-7,12,16,21H,8-11,13-14H2,1H3,(H,26,28).
What are the key properties of 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide has a molecular weight of 406.90 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134800670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).