4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide

C24H26ClFN4O2 — CID 66928368

IUPAC4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1OCCN1CCCCC1
InChIInChI=1S/C24H26ClFN4O2/c1-29-22(9-10-27-29)19-16-18(28-24(31)17-5-7-20(25)21(26)15-17)6-8-23(19)32-14-13-30-11-3-2-4-12-30/h5-10,15-16H,2-4,11-14H2,1H3,(H,28,31)
InChIKeyHHFJQFLDZFDOLD-UHFFFAOYSA-N
MW456.95 g/mol
LogP5.00
Rot. Bonds7

About 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide

4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide (PubChem CID 66928368) has the molecular formula C24H26ClFN4O2 and a molecular weight of 456.95 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
PubChem CID66928368
Molecular FormulaC24H26ClFN4O2
Molecular Weight456.95 g/mol
Exact Mass456.17
IUPAC Name4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1OCCN1CCCCC1
InChIInChI=1S/C24H26ClFN4O2/c1-29-22(9-10-27-29)19-16-18(28-24(31)17-5-7-20(25)21(26)15-17)6-8-23(19)32-14-13-30-11-3-2-4-12-30/h5-10,15-16H,2-4,11-14H2,1H3,(H,28,31)
InChIKeyHHFJQFLDZFDOLD-UHFFFAOYSA-N
XLogP5.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methylbenzamide
CID 66928778
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654
3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)aniline;N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 160777885
1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486672
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
(2R)-1-[2-[4-[(3-chloro-4-fluorobenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 66928115
1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
CID 66927818
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
3-fluoro-N-[4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
CID 66928950
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073
N-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66927982

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide (CID 66928368) is 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1OCCN1CCCCC1.
What is the InChIKey of 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is HHFJQFLDZFDOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2/c1-29-22(9-10-27-29)19-16-18(28-24(31)17-5-7-20(25)21(26)15-17)6-8-23(19)32-14-13-30-11-3-2-4-12-30/h5-10,15-16H,2-4,11-14H2,1H3,(H,28,31).
What are the key properties of 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 456.95 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 66928368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).