5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide

C11H13ClN4O3 — CID 47409666

IUPAC5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)NC(=O)CNc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C11H13ClN4O3/c1-14-11(19)16-9(17)5-15-8-3-2-6(12)4-7(8)10(13)18/h2-4,15H,5H2,1H3,(H2,13,18)(H2,14,16,17,19)
InChIKeyUKXORPBDDSMCJV-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.31
Rot. Bonds4

About 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide

5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide (PubChem CID 47409666) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
PubChem CID47409666
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)NC(=O)CNc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C11H13ClN4O3/c1-14-11(19)16-9(17)5-15-8-3-2-6(12)4-7(8)10(13)18/h2-4,15H,5H2,1H3,(H2,13,18)(H2,14,16,17,19)
InChIKeyUKXORPBDDSMCJV-UHFFFAOYSA-N
XLogP0.31
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
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2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
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5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
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5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
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2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide
CID 63887425
2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
CID 114384429
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CID 141087482
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CID 34083092

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide (CID 47409666) is 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide is CNC(=O)NC(=O)CNc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is UKXORPBDDSMCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-14-11(19)16-9(17)5-15-8-3-2-6(12)4-7(8)10(13)18/h2-4,15H,5H2,1H3,(H2,13,18)(H2,14,16,17,19).
What are the key properties of 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide?
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 284.70 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 47409666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).