4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide

C14H15ClN2O2 — CID 64794682

IUPAC4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-8-11(15)7-13(17)14(19)16-12-5-3-10(9-18)4-6-12/h3-8,18H,2,9H2,1H3,(H,16,19)
InChIKeyFIFDCLOONRDUPT-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide

4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 64794682) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
PubChem CID64794682
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-8-11(15)7-13(17)14(19)16-12-5-3-10(9-18)4-6-12/h3-8,18H,2,9H2,1H3,(H,16,19)
InChIKeyFIFDCLOONRDUPT-UHFFFAOYSA-N
XLogP2.91
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide (CID 64794682) is 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is FIFDCLOONRDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-17-8-11(15)7-13(17)14(19)16-12-5-3-10(9-18)4-6-12/h3-8,18H,2,9H2,1H3,(H,16,19).
What are the key properties of 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 64794682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).