2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide

C20H29ClF2N2O2 — CID 134434114

IUPAC2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide
SMILESCC(CC1CCN(C)CC1)CC(F)(F)Oc1ccc(C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C20H29ClF2N2O2/c1-14(11-15-7-9-25(4)10-8-15)13-20(22,23)27-16-5-6-17(18(21)12-16)19(26)24(2)3/h5-6,12,14-15H,7-11,13H2,1-4H3
InChIKeyJTEIBDDECGREGW-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.77
Rot. Bonds7

About 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide

2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide (PubChem CID 134434114) has the molecular formula C20H29ClF2N2O2 and a molecular weight of 402.91 g/mol. Its IUPAC name is 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide
PubChem CID134434114
Molecular FormulaC20H29ClF2N2O2
Molecular Weight402.91 g/mol
Exact Mass402.19
IUPAC Name2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide
SMILESCC(CC1CCN(C)CC1)CC(F)(F)Oc1ccc(C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C20H29ClF2N2O2/c1-14(11-15-7-9-25(4)10-8-15)13-20(22,23)27-16-5-6-17(18(21)12-16)19(26)24(2)3/h5-6,12,14-15H,7-11,13H2,1-4H3
InChIKeyJTEIBDDECGREGW-UHFFFAOYSA-N
XLogP4.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-[4-[3-chloro-4-(dimethylcarbamoyl)phenoxy]-4,4-difluorobutyl]piperidine-1-carboxylate
CID 154017618
2-chloro-4-[1,1-difluoro-4-[1-[3,3,3-trifluoro-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]butoxy]-N,N-dimethylbenzamide
CID 142320953
2-chloro-N,N-dimethyl-4-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]butoxy]benzamide
CID 155039598
2-chloro-N,N-dimethyl-4-[(4S)-4-[1-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)piperidin-4-yl]pentoxy]benzamide
CID 134427316
2-chloro-N,N-dimethyl-4-[4-[1-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)piperidin-4-yl]pentoxy]benzamide
CID 155040052
tert-butyl 4-[(4R)-4-[3-chloro-4-(dimethylcarbamoyl)phenoxy]pentyl]piperidine-1-carboxylate
CID 152838496
tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenoxy]-4-methylpentan-2-yl]piperidine-1-carboxylate
CID 134434159
2-chloro-4-[2-fluoro-4-[1-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)piperidin-4-yl]butoxy]-N,N-dimethylbenzamide
CID 155040032
2-chloro-4-[(2R)-2-fluoro-4-[1-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)piperidin-4-yl]butoxy]-N,N-dimethylbenzamide
CID 155040033
2-chloro-N,N-dimethyl-4-[3-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]cyclobutyl]oxybenzamide
CID 134427271
2-chloro-4-[3-[[1-[(2R)-2-[3-(difluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]cyclobutyl]oxy-N,N-dimethylbenzamide
CID 134427413
propan-2-yl 2-chloro-4-(trifluoromethoxy)benzoate
CID 133054468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide (CID 134434114) is 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide is CC(CC1CCN(C)CC1)CC(F)(F)Oc1ccc(C(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide?
The InChIKey is JTEIBDDECGREGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClF2N2O2/c1-14(11-15-7-9-25(4)10-8-15)13-20(22,23)27-16-5-6-17(18(21)12-16)19(26)24(2)3/h5-6,12,14-15H,7-11,13H2,1-4H3.
What are the key properties of 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide?
2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide has a molecular weight of 402.91 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1,1-difluoro-3-methyl-4-(1-methylpiperidin-4-yl)butoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 134434114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).