N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide

C13H17BrN2O — CID 43401788

IUPACN-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccccc1Br)C1CC1
InChIInChI=1S/C13H17BrN2O/c1-9(10-6-7-10)15-8-13(17)16-12-5-3-2-4-11(12)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyUKTPRKSKXYJPFY-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.78
Rot. Bonds5

About N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide

N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide (PubChem CID 43401788) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
PubChem CID43401788
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccccc1Br)C1CC1
InChIInChI=1S/C13H17BrN2O/c1-9(10-6-7-10)15-8-13(17)16-12-5-3-2-4-11(12)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyUKTPRKSKXYJPFY-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702
N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 61474369
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905582
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide (CID 43401788) is N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide is CC(NCC(=O)Nc1ccccc1Br)C1CC1.
What is the InChIKey of N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide?
The InChIKey is UKTPRKSKXYJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(10-6-7-10)15-8-13(17)16-12-5-3-2-4-11(12)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide?
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide has a molecular weight of 297.20 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide is sourced from PubChem (CID 43401788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).