4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide

C24H24FN3O2 — CID 164884838

IUPAC4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(=O)N(c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1F)C(C)C
InChIInChI=1S/C24H24FN3O2/c1-16(2)28(17(3)29)23-11-10-21(13-22(23)25)19-6-8-20(9-7-19)24(30)27-15-18-5-4-12-26-14-18/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyWUBREYQWXPOBRL-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.58
Rot. Bonds6

About 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 164884838) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID164884838
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(=O)N(c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1F)C(C)C
InChIInChI=1S/C24H24FN3O2/c1-16(2)28(17(3)29)23-11-10-21(13-22(23)25)19-6-8-20(9-7-19)24(30)27-15-18-5-4-12-26-14-18/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyWUBREYQWXPOBRL-UHFFFAOYSA-N
XLogP4.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884743
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 156653568
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53283224
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide (CID 164884838) is 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide is CC(=O)N(c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1F)C(C)C.
What is the InChIKey of 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WUBREYQWXPOBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-16(2)28(17(3)29)23-11-10-21(13-22(23)25)19-6-8-20(9-7-19)24(30)27-15-18-5-4-12-26-14-18/h4-14,16H,15H2,1-3H3,(H,27,30).
What are the key properties of 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 405.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 164884838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).