N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide

C14H15ClN2O — CID 24820012

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-17-10-2-3-13(17)14(18)16-9-8-11-4-6-12(15)7-5-11/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIIKHSBIBISIHEC-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 24820012) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID24820012
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-17-10-2-3-13(17)14(18)16-9-8-11-4-6-12(15)7-5-11/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIIKHSBIBISIHEC-UHFFFAOYSA-N
XLogP2.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide (CID 24820012) is N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IIKHSBIBISIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-17-10-2-3-13(17)14(18)16-9-8-11-4-6-12(15)7-5-11/h2-7,10H,8-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24820012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).