N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide

C20H19ClN2O2 — CID 86876655

IUPACN-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O2/c1-25-16-9-10-18(17(21)14-16)22-20(24)19-8-5-12-23(19)13-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyAPUZJKSVAZIYCO-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.65
Rot. Bonds6

About N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide

N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 86876655) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID86876655
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O2/c1-25-16-9-10-18(17(21)14-16)22-20(24)19-8-5-12-23(19)13-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyAPUZJKSVAZIYCO-UHFFFAOYSA-N
XLogP4.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 86860335
[4-(methoxycarbonylamino)phenyl] 1-(2-phenylethyl)pyrrole-2-carboxylate
CID 86876331
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
N-(2-acetamidoethyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 51104098
N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide
CID 86590635
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 86857903
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide (CID 86876655) is N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cccn2CCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is APUZJKSVAZIYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-25-16-9-10-18(17(21)14-16)22-20(24)19-8-5-12-23(19)13-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86876655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).