N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide

C19H20BrClN2O2 — CID 36913449

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H20BrClN2O2/c1-13-11-15(20)8-9-17(13)22-18(24)12-23(2)19(25)10-7-14-5-3-4-6-16(14)21/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,22,24)
InChIKeyRZDSJPSSFRORTN-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.44
Rot. Bonds6

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide (PubChem CID 36913449) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
PubChem CID36913449
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H20BrClN2O2/c1-13-11-15(20)8-9-17(13)22-18(24)12-23(2)19(25)10-7-14-5-3-4-6-16(14)21/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,22,24)
InChIKeyRZDSJPSSFRORTN-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide
CID 24543863
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27761796
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 17493714
N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
CID 78871865
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 26904882

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide (CID 36913449) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1ccccc1Cl.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide?
The InChIKey is RZDSJPSSFRORTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-13-11-15(20)8-9-17(13)22-18(24)12-23(2)19(25)10-7-14-5-3-4-6-16(14)21/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide has a molecular weight of 423.74 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide is sourced from PubChem (CID 36913449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).