N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide

C18H21BrN2O — CID 109036681

IUPACN-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
SMILESCCc1cccc(C)c1NCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H21BrN2O/c1-3-14-8-6-7-13(2)18(14)20-12-11-17(22)21-16-10-5-4-9-15(16)19/h4-10,20H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyPMNYXILJFMDUBD-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.76
Rot. Bonds6

About N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide

N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide (PubChem CID 109036681) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
PubChem CID109036681
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
SMILESCCc1cccc(C)c1NCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H21BrN2O/c1-3-14-8-6-7-13(2)18(14)20-12-11-17(22)21-16-10-5-4-9-15(16)19/h4-10,20H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyPMNYXILJFMDUBD-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036659
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide (CID 109036681) is N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide is CCc1cccc(C)c1NCCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide?
The InChIKey is PMNYXILJFMDUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-3-14-8-6-7-13(2)18(14)20-12-11-17(22)21-16-10-5-4-9-15(16)19/h4-10,20H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide?
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide has a molecular weight of 361.28 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide is sourced from PubChem (CID 109036681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).