N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide

C21H16Cl2FN3O4 — CID 23463883

IUPACN-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C21H16Cl2FN3O4/c1-30-17-4-2-3-16(24)19(17)20(28)27-21(29)26-14-7-8-18(25-10-14)31-11-12-5-6-13(22)9-15(12)23/h2-10H,11H2,1H3,(H2,26,27,28,29)
InChIKeyQYIPGPBZEJMNKM-UHFFFAOYSA-N
MW464.28 g/mol
LogP5.08
Rot. Bonds6

About N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide

N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide (PubChem CID 23463883) has the molecular formula C21H16Cl2FN3O4 and a molecular weight of 464.28 g/mol. Its IUPAC name is N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
PubChem CID23463883
Molecular FormulaC21H16Cl2FN3O4
Molecular Weight464.28 g/mol
Exact Mass463.05
IUPAC NameN-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C21H16Cl2FN3O4/c1-30-17-4-2-3-16(24)19(17)20(28)27-21(29)26-14-7-8-18(25-10-14)31-11-12-5-6-13(22)9-15(12)23/h2-10H,11H2,1H3,(H2,26,27,28,29)
InChIKeyQYIPGPBZEJMNKM-UHFFFAOYSA-N
XLogP5.08
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.28
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 156587560
2-(benzyloxy)-5-chloro-N-pyridin-3-ylbenzamide
CID 6463365
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-methoxy-3-pyridyl)acetamide
CID 9802880
5-Fluoro-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 68107702
2-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911651
2-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911660
2-[(5-chloro-2-heptoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911688
2-[(5-chloro-2-hexoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911703
2-[(5-chloro-2-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911738
2-[(2,5-dichlorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911740
2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911742
2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911752

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide (CID 23463883) is N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is QYIPGPBZEJMNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN3O4/c1-30-17-4-2-3-16(24)19(17)20(28)27-21(29)26-14-7-8-18(25-10-14)31-11-12-5-6-13(22)9-15(12)23/h2-10H,11H2,1H3,(H2,26,27,28,29).
What are the key properties of N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 464.28 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 23463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).