N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide

C21H20BrN3O2 — CID 78871865

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20BrN3O2/c1-14-11-17(22)8-10-19(14)24-20(26)13-25(2)21(27)23-18-9-7-15-5-3-4-6-16(15)12-18/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyUBHXDHXJVCFFMT-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.01
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide (PubChem CID 78871865) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
PubChem CID78871865
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20BrN3O2/c1-14-11-17(22)8-10-19(14)24-20(26)13-25(2)21(27)23-18-9-7-15-5-3-4-6-16(15)12-18/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyUBHXDHXJVCFFMT-UHFFFAOYSA-N
XLogP5.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
CID 36913449
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-naphthalen-1-ylpropanamide
CID 17425599
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide (CID 78871865) is N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide?
The InChIKey is UBHXDHXJVCFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-14-11-17(22)8-10-19(14)24-20(26)13-25(2)21(27)23-18-9-7-15-5-3-4-6-16(15)12-18/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide has a molecular weight of 426.31 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[methyl(naphthalen-2-ylcarbamoyl)amino]acetamide is sourced from PubChem (CID 78871865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).