N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide

C12H14ClNO2 — CID 171836453

IUPACN-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide
SMILESCCC(=O)NC1(c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C12H14ClNO2/c1-2-11(16)14-12(5-6-12)9-7-8(15)3-4-10(9)13/h3-4,7,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyXNANTAICSHGXEU-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide

N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide (PubChem CID 171836453) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide
PubChem CID171836453
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide
SMILESCCC(=O)NC1(c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C12H14ClNO2/c1-2-11(16)14-12(5-6-12)9-7-8(15)3-4-10(9)13/h3-4,7,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyXNANTAICSHGXEU-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide?
The IUPAC name of N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide (CID 171836453) is N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide.
What is the SMILES notation for N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide?
The canonical SMILES for N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide is CCC(=O)NC1(c2cc(O)ccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide?
The InChIKey is XNANTAICSHGXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-11(16)14-12(5-6-12)9-7-8(15)3-4-10(9)13/h3-4,7,15H,2,5-6H2,1H3,(H,14,16).
What are the key properties of N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide?
N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide has a molecular weight of 239.70 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide is sourced from PubChem (CID 171836453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).