N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide

C15H16ClNO2 — CID 81263564

IUPACN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)Nc1ccc(Cl)cc1C#CCCO
InChIInChI=1S/C15H16ClNO2/c16-13-6-7-14(12(10-13)3-1-2-8-18)17-15(19)9-11-4-5-11/h6-7,10-11,18H,2,4-5,8-9H2,(H,17,19)
InChIKeyMZDWJOZPJLLUGM-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.81
Rot. Bonds4

About N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide

N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide (PubChem CID 81263564) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
PubChem CID81263564
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)Nc1ccc(Cl)cc1C#CCCO
InChIInChI=1S/C15H16ClNO2/c16-13-6-7-14(12(10-13)3-1-2-8-18)17-15(19)9-11-4-5-11/h6-7,10-11,18H,2,4-5,8-9H2,(H,17,19)
InChIKeyMZDWJOZPJLLUGM-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 81263993
1-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-3-cyclobutylurea
CID 116658773
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
CID 81264318
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
CID 81259481
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922441
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 81271553
3-chloro-N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]thiophene-2-carboxamide
CID 81268460
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
CID 60803544
[4-chloro-2-[(2-cyclopropylacetyl)amino]phenyl]boronic acid
CID 164645579
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide?
The IUPAC name of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide (CID 81263564) is N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide is O=C(CC1CC1)Nc1ccc(Cl)cc1C#CCCO.
What is the InChIKey of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide?
The InChIKey is MZDWJOZPJLLUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-6-7-14(12(10-13)3-1-2-8-18)17-15(19)9-11-4-5-11/h6-7,10-11,18H,2,4-5,8-9H2,(H,17,19).
What are the key properties of N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide?
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide has a molecular weight of 277.75 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide is sourced from PubChem (CID 81263564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).