N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide

C19H22BrN3O2 — CID 46562888

IUPACN-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O2/c1-3-14-6-4-5-7-17(14)22-19(25)13-23(2)12-18(24)21-16-10-8-15(20)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBIFFVFLSGGKNGW-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.52
Rot. Bonds7

About N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 46562888) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID46562888
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O2/c1-3-14-6-4-5-7-17(14)22-19(25)13-23(2)12-18(24)21-16-10-8-15(20)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBIFFVFLSGGKNGW-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 46562888) is N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is BIFFVFLSGGKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-3-14-6-4-5-7-17(14)22-19(25)13-23(2)12-18(24)21-16-10-8-15(20)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 404.31 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 46562888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).