N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide

C21H17Cl2N3O5 — CID 12912829

IUPACN-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C21H17Cl2N3O5/c1-29-15-7-4-8-16(30-2)18(15)20(27)26-21(28)25-12-9-10-17(24-11-12)31-19-13(22)5-3-6-14(19)23/h3-11H,1-2H3,(H2,25,26,27,28)
InChIKeyBSMSTQGLDBTUIH-UHFFFAOYSA-N
MW462.29 g/mol
LogP5.16
Rot. Bonds6

About N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide

N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide (PubChem CID 12912829) has the molecular formula C21H17Cl2N3O5 and a molecular weight of 462.29 g/mol. Its IUPAC name is N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
PubChem CID12912829
Molecular FormulaC21H17Cl2N3O5
Molecular Weight462.29 g/mol
Exact Mass461.05
IUPAC NameN-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C21H17Cl2N3O5/c1-29-15-7-4-8-16(30-2)18(15)20(27)26-21(28)25-12-9-10-17(24-11-12)31-19-13(22)5-3-6-14(19)23/h3-11H,1-2H3,(H2,25,26,27,28)
InChIKeyBSMSTQGLDBTUIH-UHFFFAOYSA-N
XLogP5.16
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.29
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
2,6-dimethoxy-N-[(6-phenylmethoxy-3-pyridinyl)carbamoyl]benzamide
CID 12912868
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 57224277
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-2-methoxybenzamide
CID 42878469
N-[[6-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 19072615
N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 23463895
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide (CID 12912829) is N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The InChIKey is BSMSTQGLDBTUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O5/c1-29-15-7-4-8-16(30-2)18(15)20(27)26-21(28)25-12-9-10-17(24-11-12)31-19-13(22)5-3-6-14(19)23/h3-11H,1-2H3,(H2,25,26,27,28).
What are the key properties of N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide has a molecular weight of 462.29 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 12912829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).