N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide

C14H18BrClN2O — CID 86913389

IUPACN-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-4-18(8-10(2)3)9-14(19)17-13-6-5-11(15)7-12(13)16/h5-7H,2,4,8-9H2,1,3H3,(H,17,19)
InChIKeyAQIOAEAEPHCEBR-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.94
Rot. Bonds6

About N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide (PubChem CID 86913389) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
PubChem CID86913389
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-4-18(8-10(2)3)9-14(19)17-13-6-5-11(15)7-12(13)16/h5-7H,2,4,8-9H2,1,3H3,(H,17,19)
InChIKeyAQIOAEAEPHCEBR-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719
N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423143
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
CID 90483718
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide (CID 86913389) is N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide is C=C(C)CN(CC)CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The InChIKey is AQIOAEAEPHCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-4-18(8-10(2)3)9-14(19)17-13-6-5-11(15)7-12(13)16/h5-7H,2,4,8-9H2,1,3H3,(H,17,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide has a molecular weight of 345.67 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide is sourced from PubChem (CID 86913389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).