N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide

C12H13Cl2NO2 — CID 96501089

IUPACN-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO2/c13-9-3-8(4-10(14)5-9)11(16)6-15-12(17)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)/t11-/m1/s1
InChIKeyQXZAYLXIJCAYFK-LLVKDONJSA-N
MW274.15 g/mol
LogP2.55
Rot. Bonds4

About N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide

N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide (PubChem CID 96501089) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
PubChem CID96501089
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC NameN-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO2/c13-9-3-8(4-10(14)5-9)11(16)6-15-12(17)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)/t11-/m1/s1
InChIKeyQXZAYLXIJCAYFK-LLVKDONJSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
CID 111539033
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119792588
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 120793942
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119792586
trans-(1S,2S)-N-[(2R)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-nitrocyclopropane-1-carboxamide
CID 95630200
cis-(1R,3S)-3-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065623
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 82116875
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethylsulfanylpropanamide
CID 111427466

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide (CID 96501089) is N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide is O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
The InChIKey is QXZAYLXIJCAYFK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-3-8(4-10(14)5-9)11(16)6-15-12(17)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide?
N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide has a molecular weight of 274.15 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide is sourced from PubChem (CID 96501089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).