2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide

C13H19BrN2O — CID 54939808

IUPAC2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-3-15-13(17)10-16(4-2)9-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyQIVPQHYQUWOTPZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.41
Rot. Bonds6

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

2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 54939808) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
PubChem CID54939808
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-3-15-13(17)10-16(4-2)9-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyQIVPQHYQUWOTPZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
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-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[(3-bromo-2,6-difluorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 106268754
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide
CID 9433131
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide (CID 54939808) is 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is QIVPQHYQUWOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-15-13(17)10-16(4-2)9-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide?
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 299.21 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 54939808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).