trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate

C18H16ClNO3 — CID 23260433

IUPACtrans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(NC(=O)c2ccccc2)C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H16ClNO3/c1-23-17(22)18(20-16(21)12-7-3-2-4-8-12)11-14(18)13-9-5-6-10-15(13)19/h2-10,14H,11H2,1H3,(H,20,21)/t14-,18+/m1/s1
InChIKeyGDFVYSJZXKACTC-KDOFPFPSSA-N
MW329.78 g/mol
LogP3.17
Rot. Bonds4

About trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate

trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 23260433) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID23260433
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Nametrans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(NC(=O)c2ccccc2)C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H16ClNO3/c1-23-17(22)18(20-16(21)12-7-3-2-4-8-12)11-14(18)13-9-5-6-10-15(13)19/h2-10,14H,11H2,1H3,(H,20,21)/t14-,18+/m1/s1
InChIKeyGDFVYSJZXKACTC-KDOFPFPSSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
methyl (1aS,7bS)-4-chloro-1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate
CID 99942437
methyl (1R,2S,4S)-2-benzamido-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 11077030
cis-methyl (1S,2R)-1-[(2-benzamidoacetyl)amino]-2-(hydroxymethyl)cyclopropane-1-carboxylate
CID 15342597
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
methyl (1S,2S,4S)-1-benzamido-2-methoxy-4-methylsulfonyloxycyclohexane-1-carboxylate
CID 101179981
trans-methyl (1S,2S)-1-(2-chlorophenyl)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 71464945
1-amino-2-phenylcyclopropane-1-carboxylic acid;methyl 1-acetamido-2-phenylcyclopropane-1-carboxylate
CID 167649996
trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 70700365
dimethyl (3S)-3-(2-chlorophenyl)-1',3'-dioxospiro[cyclopropane-2,2'-indene]-1,1-dicarboxylate
CID 56594577

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate (CID 23260433) is trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate is COC(=O)[C@]1(NC(=O)c2ccccc2)C[C@@H]1c1ccccc1Cl.
What is the InChIKey of trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is GDFVYSJZXKACTC-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-23-17(22)18(20-16(21)12-7-3-2-4-8-12)11-14(18)13-9-5-6-10-15(13)19/h2-10,14H,11H2,1H3,(H,20,21)/t14-,18+/m1/s1.
What are the key properties of trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 329.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-1-benzamido-2-(2-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 23260433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).