N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide

C13H19BrN2O — CID 60842363

IUPACN-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)15-8-13(17)16-10(3)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyGKOBAQMPUDLVPP-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.62
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide

N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60842363) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID60842363
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)15-8-13(17)16-10(3)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyGKOBAQMPUDLVPP-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
(2S)-2-amino-N-[2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82964432
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide (CID 60842363) is N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is GKOBAQMPUDLVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)15-8-13(17)16-10(3)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60842363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).