trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide

C11H9ClN2O — CID 171758399

IUPACtrans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1[C@@H]1C[C@H]1C(N)=O
InChIInChI=1S/C11H9ClN2O/c12-7-2-1-6(5-13)8(3-7)9-4-10(9)11(14)15/h1-3,9-10H,4H2,(H2,14,15)/t9-,10+/m0/s1
InChIKeyPLIPXXJZSUBIOQ-VHSXEESVSA-N
MW220.66 g/mol
LogP1.80
Rot. Bonds2

About trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide (PubChem CID 171758399) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide
PubChem CID171758399
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Nametrans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1[C@@H]1C[C@H]1C(N)=O
InChIInChI=1S/C11H9ClN2O/c12-7-2-1-6(5-13)8(3-7)9-4-10(9)11(14)15/h1-3,9-10H,4H2,(H2,14,15)/t9-,10+/m0/s1
InChIKeyPLIPXXJZSUBIOQ-VHSXEESVSA-N
XLogP1.80
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 174027519
4-chloro-2-cyclopropylbenzonitrile
CID 90240370
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
(1S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxamide
CID 175507768
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165133671
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
CID 79211095
(5aR,6R,10aS)-2-chloro-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole-6-carboxamide
CID 129364758

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide (CID 171758399) is trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide is N#Cc1ccc(Cl)cc1[C@@H]1C[C@H]1C(N)=O.
What is the InChIKey of trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide?
The InChIKey is PLIPXXJZSUBIOQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-7-2-1-6(5-13)8(3-7)9-4-10(9)11(14)15/h1-3,9-10H,4H2,(H2,14,15)/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide has a molecular weight of 220.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-chloro-2-cyanophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).