N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide

C20H16Cl2N4O2 — CID 59618071

IUPACN-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
SMILESO=C(NCc1ccccc1)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C20H16Cl2N4O2/c21-15-7-4-8-16(22)18(15)19(27)25-14-9-10-23-17(11-14)26-20(28)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,23,24,25,26,27,28)
InChIKeyQSCWEIYEKCBTFN-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.96
Rot. Bonds5

About N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide

N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide (PubChem CID 59618071) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
PubChem CID59618071
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC NameN-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
SMILESO=C(NCc1ccccc1)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C20H16Cl2N4O2/c21-15-7-4-8-16(22)18(15)19(27)25-14-9-10-23-17(11-14)26-20(28)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,23,24,25,26,27,28)
InChIKeyQSCWEIYEKCBTFN-UHFFFAOYSA-N
XLogP4.96
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618575
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide
CID 66971557
2,6-dichloro-N-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]benzamide
CID 59618340
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178
1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide (CID 59618071) is N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide is O=C(NCc1ccccc1)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide?
The InChIKey is QSCWEIYEKCBTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c21-15-7-4-8-16(22)18(15)19(27)25-14-9-10-23-17(11-14)26-20(28)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,23,24,25,26,27,28).
What are the key properties of N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide?
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide has a molecular weight of 415.28 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 59618071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).