2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide

C13H18BrClN2O — CID 48935568

IUPAC2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-3-16-13(18)9-17(4-2)8-10-5-6-11(14)7-12(10)15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyUMBMMRMIYPAXKB-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.06
Rot. Bonds6

About 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide

2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 48935568) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
PubChem CID48935568
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-3-16-13(18)9-17(4-2)8-10-5-6-11(14)7-12(10)15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKeyUMBMMRMIYPAXKB-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
N-ethyl-2-[ethyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetamide
CID 82986658
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54941727
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
2-[[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310128
2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310127
2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 62208289
ethyl 2-[(4-bromo-2-chlorophenyl)methyl-prop-2-enylamino]acetate
CID 113228495

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide (CID 48935568) is 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is UMBMMRMIYPAXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-3-16-13(18)9-17(4-2)8-10-5-6-11(14)7-12(10)15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide?
2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 333.66 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 48935568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).