2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide

C19H22BrN3O2 — CID 60577056

IUPAC2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCC(NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccccc1Br
InChIInChI=1S/C19H22BrN3O2/c1-13(15-9-5-6-10-16(15)20)21-19(25)22-17-11-7-4-8-14(17)12-18(24)23(2)3/h4-11,13H,12H2,1-3H3,(H2,21,22,25)
InChIKeyYFGIRYUNNWLJSM-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.96
Rot. Bonds5

About 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide

2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 60577056) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
PubChem CID60577056
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCC(NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccccc1Br
InChIInChI=1S/C19H22BrN3O2/c1-13(15-9-5-6-10-16(15)20)21-19(25)22-17-11-7-4-8-14(17)12-18(24)23(2)3/h4-11,13H,12H2,1-3H3,(H2,21,22,25)
InChIKeyYFGIRYUNNWLJSM-UHFFFAOYSA-N
XLogP3.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214650
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropanamide
CID 122144544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide (CID 60577056) is 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide is CC(NC(=O)Nc1ccccc1CC(=O)N(C)C)c1ccccc1Br.
What is the InChIKey of 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is YFGIRYUNNWLJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-13(15-9-5-6-10-16(15)20)21-19(25)22-17-11-7-4-8-14(17)12-18(24)23(2)3/h4-11,13H,12H2,1-3H3,(H2,21,22,25).
What are the key properties of 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 404.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 60577056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).