N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide

C19H21BrN2O2 — CID 110313069

IUPACN-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(=O)Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)18(14-8-10-15(20)11-9-14)19(24)21-12-17(23)22-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFMTBCFOWNMCXFI-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.94
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide

N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide (PubChem CID 110313069) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
PubChem CID110313069
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC(=O)Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)18(14-8-10-15(20)11-9-14)19(24)21-12-17(23)22-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFMTBCFOWNMCXFI-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110619451
N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110356855
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110316878
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide
CID 122660054
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(2-cyanophenoxy)-3-methylbutanamide
CID 55960042
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55959790
2-(4-bromophenyl)-3-methylbutanoyl chloride
CID 23465342
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide (CID 110313069) is N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide is CC(C)C(C(=O)NCC(=O)Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide?
The InChIKey is FMTBCFOWNMCXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)18(14-8-10-15(20)11-9-14)19(24)21-12-17(23)22-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide?
N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide has a molecular weight of 389.29 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide is sourced from PubChem (CID 110313069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).