N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide

C20H21Cl2FN2O — CID 10200703

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H21Cl2FN2O/c1-13-16(3-2-4-19(13)23)20(26)24-15-7-9-25(10-8-15)12-14-5-6-17(21)18(22)11-14/h2-6,11,15H,7-10,12H2,1H3,(H,24,26)
InChIKeySDCFPPYEOVLQSX-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.84
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide (PubChem CID 10200703) has the molecular formula C20H21Cl2FN2O and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
PubChem CID10200703
Molecular FormulaC20H21Cl2FN2O
Molecular Weight395.31 g/mol
Exact Mass394.10
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H21Cl2FN2O/c1-13-16(3-2-4-19(13)23)20(26)24-15-7-9-25(10-8-15)12-14-5-6-17(21)18(22)11-14/h2-6,11,15H,7-10,12H2,1H3,(H,24,26)
InChIKeySDCFPPYEOVLQSX-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 20794185
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 166199741
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide (CID 10200703) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide is Cc1c(F)cccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide?
The InChIKey is SDCFPPYEOVLQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O/c1-13-16(3-2-4-19(13)23)20(26)24-15-7-9-25(10-8-15)12-14-5-6-17(21)18(22)11-14/h2-6,11,15H,7-10,12H2,1H3,(H,24,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide has a molecular weight of 395.31 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide is sourced from PubChem (CID 10200703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).