4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide

C15H13ClN2O2 — CID 60804145

IUPAC4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C15H13ClN2O2/c1-18-10-12(16)9-14(18)15(20)17-13-6-2-4-11(8-13)5-3-7-19/h2,4,6,8-10,19H,7H2,1H3,(H,17,20)
InChIKeyIYXQGWFRXCVCFE-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.27
Rot. Bonds2

About 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 60804145) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID60804145
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C15H13ClN2O2/c1-18-10-12(16)9-14(18)15(20)17-13-6-2-4-11(8-13)5-3-7-19/h2,4,6,8-10,19H,7H2,1H3,(H,17,20)
InChIKeyIYXQGWFRXCVCFE-UHFFFAOYSA-N
XLogP2.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 65432162
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311034
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
4-chloro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 102821179
N-(3-bromo-4-iodophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 114262157
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
3-chloro-N-[3-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60804759
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 60804145) is 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)Nc1cccc(C#CCO)c1.
What is the InChIKey of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IYXQGWFRXCVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-18-10-12(16)9-14(18)15(20)17-13-6-2-4-11(8-13)5-3-7-19/h2,4,6,8-10,19H,7H2,1H3,(H,17,20).
What are the key properties of 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60804145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).