3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide

C19H21ClN4O3 — CID 8843971

IUPAC3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN4O3/c1-21-19(27)13-6-5-7-14(10-13)22-17(25)11-24(2)12-18(26)23-16-9-4-3-8-15(16)20/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyKFHRTSYSLMVHJF-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.21
Rot. Bonds7

About 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide

3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide (PubChem CID 8843971) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
PubChem CID8843971
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN4O3/c1-21-19(27)13-6-5-7-14(10-13)22-17(25)11-24(2)12-18(26)23-16-9-4-3-8-15(16)20/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyKFHRTSYSLMVHJF-UHFFFAOYSA-N
XLogP2.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 38171779
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8843970
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfonylphenyl)acetamide
CID 8844143
3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
CID 164603585
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide (CID 8843971) is 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide?
The InChIKey is KFHRTSYSLMVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-21-19(27)13-6-5-7-14(10-13)22-17(25)11-24(2)12-18(26)23-16-9-4-3-8-15(16)20/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,25)(H,23,26).
What are the key properties of 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide?
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide has a molecular weight of 388.86 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8843971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).