3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

C23H19ClN4O3 — CID 86963024

IUPAC3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc1
InChIInChI=1S/C23H19ClN4O3/c1-15-9-10-21(26-13-15)27-22(29)14-28(2)23(30)16-5-3-6-17(11-16)31-20-8-4-7-19(24)18(20)12-25/h3-11,13H,14H2,1-2H3,(H,26,27,29)
InChIKeyDZQIPHHYEIEUHY-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.42
Rot. Bonds6

About 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 86963024) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID86963024
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc1
InChIInChI=1S/C23H19ClN4O3/c1-15-9-10-21(26-13-15)27-22(29)14-28(2)23(30)16-5-3-6-17(11-16)31-20-8-4-7-19(24)18(20)12-25/h3-11,13H,14H2,1-2H3,(H,26,27,29)
InChIKeyDZQIPHHYEIEUHY-UHFFFAOYSA-N
XLogP4.42
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
CID 86962975
2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 56805118
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide
CID 86962951
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 42939871
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 86963024) is 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc1.
What is the InChIKey of 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is DZQIPHHYEIEUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-15-9-10-21(26-13-15)27-22(29)14-28(2)23(30)16-5-3-6-17(11-16)31-20-8-4-7-19(24)18(20)12-25/h3-11,13H,14H2,1-2H3,(H,26,27,29).
What are the key properties of 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 434.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86963024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).