4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide

C14H15ClN2O2 — CID 18115644

IUPAC4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C14H15ClN2O2/c1-10-3-2-4-12(7-10)19-6-5-16-14(18)13-8-11(15)9-17-13/h2-4,7-9,17H,5-6H2,1H3,(H,16,18)
InChIKeyYFTBZJZSMRDEGN-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.79
Rot. Bonds5

About 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 18115644) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID18115644
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C14H15ClN2O2/c1-10-3-2-4-12(7-10)19-6-5-16-14(18)13-8-11(15)9-17-13/h2-4,7-9,17H,5-6H2,1H3,(H,16,18)
InChIKeyYFTBZJZSMRDEGN-UHFFFAOYSA-N
XLogP2.79
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
CID 103186858
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide (CID 18115644) is 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide is Cc1cccc(OCCNC(=O)c2cc(Cl)c[nH]2)c1.
What is the InChIKey of 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YFTBZJZSMRDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10-3-2-4-12(7-10)19-6-5-16-14(18)13-8-11(15)9-17-13/h2-4,7-9,17H,5-6H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18115644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).