trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide

C18H17BrN2O2 — CID 124787259

IUPACtrans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c19-13-8-4-7-12(9-13)14-10-15(14)18(23)21-16(17(20)22)11-5-2-1-3-6-11/h1-9,14-16H,10H2,(H2,20,22)(H,21,23)/t14-,15+,16+/m0/s1
InChIKeyYGMXSAUKYCIHRM-ARFHVFGLSA-N
MW373.25 g/mol
LogP2.90
Rot. Bonds5

About trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide (PubChem CID 124787259) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
PubChem CID124787259
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Nametrans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c19-13-8-4-7-12(9-13)14-10-15(14)18(23)21-16(17(20)22)11-5-2-1-3-6-11/h1-9,14-16H,10H2,(H2,20,22)(H,21,23)/t14-,15+,16+/m0/s1
InChIKeyYGMXSAUKYCIHRM-ARFHVFGLSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 100843088
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
CID 124729482
2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
CID 49158229
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
(2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 119372319
trans-(1S,2S)-2-(3-bromophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94800328
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
N-[2-(aminomethyl)cyclohexyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119612033

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide (CID 124787259) is trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide is NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
The InChIKey is YGMXSAUKYCIHRM-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-13-8-4-7-12(9-13)14-10-15(14)18(23)21-16(17(20)22)11-5-2-1-3-6-11/h1-9,14-16H,10H2,(H2,20,22)(H,21,23)/t14-,15+,16+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124787259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).