3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide

C23H20ClFN2O2 — CID 70663597

IUPAC3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(C2CC2)c1
InChIInChI=1S/C23H20ClFN2O2/c1-27(23(28)16-9-15(14-3-4-14)10-17(24)11-16)21-13-26-8-7-19(21)20-6-5-18(25)12-22(20)29-2/h5-14H,3-4H2,1-2H3
InChIKeySBGMMASVZWTAOO-UHFFFAOYSA-N
MW410.88 g/mol
LogP5.70
Rot. Bonds5

About 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide

3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide (PubChem CID 70663597) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide
PubChem CID70663597
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide
SMILESCOc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(C2CC2)c1
InChIInChI=1S/C23H20ClFN2O2/c1-27(23(28)16-9-15(14-3-4-14)10-17(24)11-16)21-13-26-8-7-19(21)20-6-5-18(25)12-22(20)29-2/h5-14H,3-4H2,1-2H3
InChIKeySBGMMASVZWTAOO-UHFFFAOYSA-N
XLogP5.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide (CID 70663597) is 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide is COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(C2CC2)c1.
What is the InChIKey of 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide?
The InChIKey is SBGMMASVZWTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-27(23(28)16-9-15(14-3-4-14)10-17(24)11-16)21-13-26-8-7-19(21)20-6-5-18(25)12-22(20)29-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide?
3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide has a molecular weight of 410.88 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 70663597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).