2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide

C16H23ClN4O3 — CID 60539304

IUPAC2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)NC(=O)NC)cc1Cl
InChIInChI=1S/C16H23ClN4O3/c1-5-16(2,3)21-14(23)11-7-6-10(8-12(11)17)19-9-13(22)20-15(24)18-4/h6-8,19H,5,9H2,1-4H3,(H,21,23)(H2,18,20,22,24)
InChIKeyNOCMWAGOISMTLH-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.13
Rot. Bonds6

About 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide

2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide (PubChem CID 60539304) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
PubChem CID60539304
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)NC(=O)NC)cc1Cl
InChIInChI=1S/C16H23ClN4O3/c1-5-16(2,3)21-14(23)11-7-6-10(8-12(11)17)19-9-13(22)20-15(24)18-4/h6-8,19H,5,9H2,1-4H3,(H,21,23)(H2,18,20,22,24)
InChIKeyNOCMWAGOISMTLH-UHFFFAOYSA-N
XLogP2.13
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539162
2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539073
4-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 60539097
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide
CID 60539115
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 60539322
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 119950281
2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
CID 55917443
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide
CID 46537872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide (CID 60539304) is 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide is CCC(C)(C)NC(=O)c1ccc(NCC(=O)NC(=O)NC)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is NOCMWAGOISMTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O3/c1-5-16(2,3)21-14(23)11-7-6-10(8-12(11)17)19-9-13(22)20-15(24)18-4/h6-8,19H,5,9H2,1-4H3,(H,21,23)(H2,18,20,22,24).
What are the key properties of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 354.84 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 60539304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).