2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide

C15H19BrN2O2 — CID 60681642

IUPAC2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
SMILESCC(C(=O)c1ccc(Br)cc1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C15H19BrN2O2/c1-10(15(20)11-3-5-12(16)6-4-11)18(2)9-14(19)17-13-7-8-13/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyRVBUWPZWCYTFEM-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.23
Rot. Bonds6

About 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide

2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide (PubChem CID 60681642) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
PubChem CID60681642
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
SMILESCC(C(=O)c1ccc(Br)cc1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C15H19BrN2O2/c1-10(15(20)11-3-5-12(16)6-4-11)18(2)9-14(19)17-13-7-8-13/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyRVBUWPZWCYTFEM-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 86909979
1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
CID 78847173
cis-[2-(4-bromophenyl)-2-oxoethyl] (1R,2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-propan-2-ylcarbamoyl]cyclohexane-1-carboxylate
CID 130396851
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 86907053
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide (CID 60681642) is 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide is CC(C(=O)c1ccc(Br)cc1)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is RVBUWPZWCYTFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(15(20)11-3-5-12(16)6-4-11)18(2)9-14(19)17-13-7-8-13/h3-6,10,13H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide?
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 339.23 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 60681642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).