2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide

C21H25ClF2N4O — CID 144603725

IUPAC2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide
SMILESCC1(C)CCN(C(CNC(=O)c2ccccc2Cl)c2cnc(C(F)F)nc2)CC1
InChIInChI=1S/C21H25ClF2N4O/c1-21(2)7-9-28(10-8-21)17(14-11-25-19(18(23)24)26-12-14)13-27-20(29)15-5-3-4-6-16(15)22/h3-6,11-12,17-18H,7-10,13H2,1-2H3,(H,27,29)
InChIKeyKAPFNIRIGKVBCW-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.66
Rot. Bonds6

About 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide

2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide (PubChem CID 144603725) has the molecular formula C21H25ClF2N4O and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide
PubChem CID144603725
Molecular FormulaC21H25ClF2N4O
Molecular Weight422.91 g/mol
Exact Mass422.17
IUPAC Name2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide
SMILESCC1(C)CCN(C(CNC(=O)c2ccccc2Cl)c2cnc(C(F)F)nc2)CC1
InChIInChI=1S/C21H25ClF2N4O/c1-21(2)7-9-28(10-8-21)17(14-11-25-19(18(23)24)26-12-14)13-27-20(29)15-5-3-4-6-16(15)22/h3-6,11-12,17-18H,7-10,13H2,1-2H3,(H,27,29)
InChIKeyKAPFNIRIGKVBCW-UHFFFAOYSA-N
XLogP4.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide
CID 148868144
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
2-chloro-N-[2-(4-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-6-methylbenzamide
CID 163609289
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
2-chloro-N-[2-(2-methylpyrimidin-5-yl)-2-thiomorpholin-4-ylethyl]quinoline-5-carboxamide
CID 143883825
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide (CID 144603725) is 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide is CC1(C)CCN(C(CNC(=O)c2ccccc2Cl)c2cnc(C(F)F)nc2)CC1.
What is the InChIKey of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is KAPFNIRIGKVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF2N4O/c1-21(2)7-9-28(10-8-21)17(14-11-25-19(18(23)24)26-12-14)13-27-20(29)15-5-3-4-6-16(15)22/h3-6,11-12,17-18H,7-10,13H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide?
2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 422.91 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 144603725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).