3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide

C22H17ClF2N2O2 — CID 58919705

IUPAC3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2cc(Cl)c(C(=O)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C22H17ClF2N2O2/c1-3-26-22(29)14-8-16(12(2)19(25)9-14)20-10-18(23)17(11-27-20)21(28)13-4-6-15(24)7-5-13/h4-11H,3H2,1-2H3,(H,26,29)
InChIKeyRIWPBVFJBGWDPW-UHFFFAOYSA-N
MW414.84 g/mol
LogP4.97
Rot. Bonds5

About 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide

3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide (PubChem CID 58919705) has the molecular formula C22H17ClF2N2O2 and a molecular weight of 414.84 g/mol. Its IUPAC name is 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide
PubChem CID58919705
Molecular FormulaC22H17ClF2N2O2
Molecular Weight414.84 g/mol
Exact Mass414.09
IUPAC Name3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2cc(Cl)c(C(=O)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C22H17ClF2N2O2/c1-3-26-22(29)14-8-16(12(2)19(25)9-14)20-10-18(23)17(11-27-20)21(28)13-4-6-15(24)7-5-13/h4-11H,3H2,1-2H3,(H,26,29)
InChIKeyRIWPBVFJBGWDPW-UHFFFAOYSA-N
XLogP4.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
CID 11618072
N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide
CID 58919729
N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 135283637
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
ethane;methyl 3-[5-(2,2-dimethylpropylcarbamoyl)-2-pyridinyl]-5-fluoro-4-methylbenzoate
CID 143691455
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
[4-(ethylcarbamoyl)-2-fluorophenyl]boronic acid
CID 57497293
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 174518381

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide (CID 58919705) is 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide is CCNC(=O)c1cc(F)c(C)c(-c2cc(Cl)c(C(=O)c3ccc(F)cc3)cn2)c1.
What is the InChIKey of 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide?
The InChIKey is RIWPBVFJBGWDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O2/c1-3-26-22(29)14-8-16(12(2)19(25)9-14)20-10-18(23)17(11-27-20)21(28)13-4-6-15(24)7-5-13/h4-11H,3H2,1-2H3,(H,26,29).
What are the key properties of 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide?
3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide has a molecular weight of 414.84 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 58919705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).