N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide

C13H16Cl2N2O2 — CID 8852436

IUPACN-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCC[C@@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-3-8(2)17-12(18)7-16-13(19)10-5-4-9(14)6-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m1/s1
InChIKeyRILWFFJXLRHKRD-MRVPVSSYSA-N
MW303.19 g/mol
LogP2.64
Rot. Bonds5

About N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide

N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide (PubChem CID 8852436) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
PubChem CID8852436
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCC[C@@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-3-8(2)17-12(18)7-16-13(19)10-5-4-9(14)6-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m1/s1
InChIKeyRILWFFJXLRHKRD-MRVPVSSYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 55749266
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide (CID 8852436) is N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide is CC[C@@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The InChIKey is RILWFFJXLRHKRD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-3-8(2)17-12(18)7-16-13(19)10-5-4-9(14)6-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,16,19)(H,17,18)/t8-/m1/s1.
What are the key properties of N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide has a molecular weight of 303.19 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 8852436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).