[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate

C20H15Cl2N3O3 — CID 11316000

IUPAC[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1)c1ccccc1
InChIInChI=1S/C20H15Cl2N3O3/c1-25(15-5-3-2-4-6-15)20(27)28-18-10-8-14(12-23-18)24-19(26)13-7-9-16(21)17(22)11-13/h2-12H,1H3,(H,24,26)
InChIKeyCXKBHLZYPSBPRU-UHFFFAOYSA-N
MW416.26 g/mol
LogP5.28
Rot. Bonds4

About [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate

[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate (PubChem CID 11316000) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
PubChem CID11316000
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC Name[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1)c1ccccc1
InChIInChI=1S/C20H15Cl2N3O3/c1-25(15-5-3-2-4-6-15)20(27)28-18-10-8-14(12-23-18)24-19(26)13-7-9-16(21)17(22)11-13/h2-12H,1H3,(H,24,26)
InChIKeyCXKBHLZYPSBPRU-UHFFFAOYSA-N
XLogP5.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-methoxybenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11474370
[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11247830
[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11393718
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
[5-(4-methoxyphenoxy)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 142667849
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683
4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 11582018

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate (CID 11316000) is [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1)c1ccccc1.
What is the InChIKey of [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
The InChIKey is CXKBHLZYPSBPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c1-25(15-5-3-2-4-6-15)20(27)28-18-10-8-14(12-23-18)24-19(26)13-7-9-16(21)17(22)11-13/h2-12H,1H3,(H,24,26).
What are the key properties of [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate has a molecular weight of 416.26 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 11316000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).