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

C24H27FN4O2 — CID 67190100

IUPAC4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(OC(C)C3CCCN3)c(-c3ccnn3C)c2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-15-13-17(6-8-20(15)25)24(30)28-18-7-9-23(31-16(2)21-5-4-11-26-21)19(14-18)22-10-12-27-29(22)3/h6-10,12-14,16,21,26H,4-5,11H2,1-3H3,(H,28,30)
InChIKeyIIHFJIQLPPBAGW-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.31
Rot. Bonds6

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

4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide (PubChem CID 67190100) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide
PubChem CID67190100
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(OC(C)C3CCCN3)c(-c3ccnn3C)c2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-15-13-17(6-8-20(15)25)24(30)28-18-7-9-23(31-16(2)21-5-4-11-26-21)19(14-18)22-10-12-27-29(22)3/h6-10,12-14,16,21,26H,4-5,11H2,1-3H3,(H,28,30)
InChIKeyIIHFJIQLPPBAGW-UHFFFAOYSA-N
XLogP4.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methylbenzamide
CID 66928778
(2R)-1-[2-[4-[(3-chloro-4-fluorobenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 66928115
N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
CID 66928193
4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928368
1-(4-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]urea
CID 66928082
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66928046
2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide
CID 66927967
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide
CID 66928061
N-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928410
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
3-(4-fluoro-3-methylphenyl)-N-[3-(4-methylphenyl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-4-[(3S)-pyrrolidin-3-yl]oxybenzamide
CID 134391684

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide (CID 67190100) is 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(OC(C)C3CCCN3)c(-c3ccnn3C)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide?
The InChIKey is IIHFJIQLPPBAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-15-13-17(6-8-20(15)25)24(30)28-18-7-9-23(31-16(2)21-5-4-11-26-21)19(14-18)22-10-12-27-29(22)3/h6-10,12-14,16,21,26H,4-5,11H2,1-3H3,(H,28,30).
What are the key properties of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide?
4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-(1-pyrrolidin-2-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 67190100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).