2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide

C18H19BrN2O — CID 119325130

IUPAC2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
SMILESNC(C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C18H19BrN2O/c19-15-8-4-7-14(11-15)18(9-10-18)12-21-17(22)16(20)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,20H2,(H,21,22)
InChIKeyVIGNGYCXGXEYMY-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.30
Rot. Bonds5

About 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide

2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide (PubChem CID 119325130) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
PubChem CID119325130
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
SMILESNC(C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C18H19BrN2O/c19-15-8-4-7-14(11-15)18(9-10-18)12-21-17(22)16(20)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,20H2,(H,21,22)
InChIKeyVIGNGYCXGXEYMY-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
(2S)-2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119325122
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
(2S)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-methylpentanamide;hydrochloride
CID 119738820
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821
N-[2-[[N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111572573
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436319
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
[2-(3-bromophenyl)-3,4-dihydro-1H-naphthalen-2-yl]methylcarbamic acid
CID 126616574
3-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 75438328

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide (CID 119325130) is 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide is NC(C(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide?
The InChIKey is VIGNGYCXGXEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-15-8-4-7-14(11-15)18(9-10-18)12-21-17(22)16(20)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,20H2,(H,21,22).
What are the key properties of 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide?
2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide has a molecular weight of 359.27 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 119325130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).