5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

C18H15ClN2O2 — CID 90413480

IUPAC5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Oc2ccc(Cl)cc2)cc1C(N)=O
InChIInChI=1S/C18H15ClN2O2/c1-11-15(18(20)22)10-16(21-11)14-4-2-3-5-17(14)23-13-8-6-12(19)7-9-13/h2-10,21H,1H3,(H2,20,22)
InChIKeyVYHWNVJEEBHTKR-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.53
Rot. Bonds4

About 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90413480) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID90413480
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2Oc2ccc(Cl)cc2)cc1C(N)=O
InChIInChI=1S/C18H15ClN2O2/c1-11-15(18(20)22)10-16(21-11)14-4-2-3-5-17(14)23-13-8-6-12(19)7-9-13/h2-10,21H,1H3,(H2,20,22)
InChIKeyVYHWNVJEEBHTKR-UHFFFAOYSA-N
XLogP4.53
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1yl}-N-[(S)-1-phenyl-ethyl]-benzamide
CID 10369424
3-[2-(5-Chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]benzamide
CID 44432358
3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1yl}-N-[(R)-1-phenyl-ethyl]-benzamide
CID 44432366
US9776990, Example 2
CID 71811973
3-Methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
CID 86270617
3-methyl-1-(2-phenoxyphenyl)-6,7-dihydro-2H-pyrrolo[3,4-c]pyridin-4(5H)-one
CID 86271752
2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 86299218
5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 90413429
5-[5-(methanesulfonamido)-2-phenoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 90415492
7-Methyl-5-(2-phenoxyphenyl)-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
CID 136387526
5-(2-amino-6-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 86299220
Ethyl 5-{2-[(5-chloro-2-methoxyphenyl)carbamoyl]ethyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16030097

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 90413480) is 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2Oc2ccc(Cl)cc2)cc1C(N)=O.
What is the InChIKey of 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is VYHWNVJEEBHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-15(18(20)22)10-16(21-11)14-4-2-3-5-17(14)23-13-8-6-12(19)7-9-13/h2-10,21H,1H3,(H2,20,22).
What are the key properties of 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90413480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).