(4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone

C15H17ClN2O — CID 141333854

IUPAC(4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone
SMILESCC(C)NCc1ccc(C(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H17ClN2O/c1-10(2)17-9-13-7-8-14(18-13)15(19)11-3-5-12(16)6-4-11/h3-8,10,17-18H,9H2,1-2H3
InChIKeyYPQOFIXSEOQJGB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.40
Rot. Bonds5

About (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone

(4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone (PubChem CID 141333854) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone
PubChem CID141333854
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone
SMILESCC(C)NCc1ccc(C(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H17ClN2O/c1-10(2)17-9-13-7-8-14(18-13)15(19)11-3-5-12(16)6-4-11/h3-8,10,17-18H,9H2,1-2H3
InChIKeyYPQOFIXSEOQJGB-UHFFFAOYSA-N
XLogP3.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone (CID 141333854) is (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone is CC(C)NCc1ccc(C(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone?
The InChIKey is YPQOFIXSEOQJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(2)17-9-13-7-8-14(18-13)15(19)11-3-5-12(16)6-4-11/h3-8,10,17-18H,9H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone?
(4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone has a molecular weight of 276.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[(propan-2-ylamino)methyl]-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 141333854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).