4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H17ClN2O2 — CID 61017424

IUPAC4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C15H17ClN2O2/c1-10(2)18-9-12(16)7-14(18)15(20)17-8-11-4-3-5-13(19)6-11/h3-7,9-10,19H,8H2,1-2H3,(H,17,20)
InChIKeyYMJHHOXWKWIEGG-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.36
Rot. Bonds4

About 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61017424) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61017424
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C15H17ClN2O2/c1-10(2)18-9-12(16)7-14(18)15(20)17-8-11-4-3-5-13(19)6-11/h3-7,9-10,19H,8H2,1-2H3,(H,17,20)
InChIKeyYMJHHOXWKWIEGG-UHFFFAOYSA-N
XLogP3.36
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 54903799
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61000804
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
4-chloro-1-propan-2-yl-N-prop-2-ynylpyrrole-2-carboxamide
CID 61345032
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
4-chloro-N-(4-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 106120396
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
N-(2-amino-2-ethylbutyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 115305800
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61017424) is 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)NCc1cccc(O)c1.
What is the InChIKey of 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is YMJHHOXWKWIEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(2)18-9-12(16)7-14(18)15(20)17-8-11-4-3-5-13(19)6-11/h3-7,9-10,19H,8H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61017424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).