2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide

C14H15ClN2O3 — CID 62915604

IUPAC2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C#CCCO)ccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-10(19)16-9-14(20)17-13-8-11(4-2-3-7-18)5-6-12(13)15/h5-6,8,18H,3,7,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyWQFJBOVMFHIHAV-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.15
Rot. Bonds4

About 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide

2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide (PubChem CID 62915604) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
PubChem CID62915604
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C#CCCO)ccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-10(19)16-9-14(20)17-13-8-11(4-2-3-7-18)5-6-12(13)15/h5-6,8,18H,3,7,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyWQFJBOVMFHIHAV-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-3-methylbutanamide
CID 62914499
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 62915609
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348490
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
4-[4-chloro-3-(ethylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114811918
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 62914509
2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62914325
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide (CID 62915604) is 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide is CC(=O)NCC(=O)Nc1cc(C#CCCO)ccc1Cl.
What is the InChIKey of 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The InChIKey is WQFJBOVMFHIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-10(19)16-9-14(20)17-13-8-11(4-2-3-7-18)5-6-12(13)15/h5-6,8,18H,3,7,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide?
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 62915604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).