N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide

C21H25ClN2O2 — CID 112807272

IUPACN-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-5-15(3)24(21(26)17-9-7-10-18(22)12-17)13-20(25)23-19-11-6-8-14(2)16(19)4/h6-12,15H,5,13H2,1-4H3,(H,23,25)
InChIKeyXYXOODGHFJOUCK-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.84
Rot. Bonds6

About N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide

N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 112807272) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID112807272
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-5-15(3)24(21(26)17-9-7-10-18(22)12-17)13-20(25)23-19-11-6-8-14(2)16(19)4/h6-12,15H,5,13H2,1-4H3,(H,23,25)
InChIKeyXYXOODGHFJOUCK-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
CID 42923580
N-[(2R)-butan-2-yl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 30759801
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
CID 97250350
2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
CID 112807233

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide (CID 112807272) is N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide is CCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is XYXOODGHFJOUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-5-15(3)24(21(26)17-9-7-10-18(22)12-17)13-20(25)23-19-11-6-8-14(2)16(19)4/h6-12,15H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide?
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112807272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).