N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide

C13H16ClNO2 — CID 114305087

IUPACN-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(Cl)C1CC1
InChIInChI=1S/C13H16ClNO2/c14-12(10-4-5-10)8-15-13(17)7-9-2-1-3-11(16)6-9/h1-3,6,10,12,16H,4-5,7-8H2,(H,15,17)
InChIKeyKHXLECPLFLSKEU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.07
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide

N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 114305087) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID114305087
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(Cl)C1CC1
InChIInChI=1S/C13H16ClNO2/c14-12(10-4-5-10)8-15-13(17)7-9-2-1-3-11(16)6-9/h1-3,6,10,12,16H,4-5,7-8H2,(H,15,17)
InChIKeyKHXLECPLFLSKEU-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114295749
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
CID 115760554
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide (CID 114305087) is N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCC(Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is KHXLECPLFLSKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12(10-4-5-10)8-15-13(17)7-9-2-1-3-11(16)6-9/h1-3,6,10,12,16H,4-5,7-8H2,(H,15,17).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide?
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 253.73 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 114305087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).