N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide

C19H19FN2O2S — CID 155966728

IUPACN-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2c[nH]cc2C(=O)NC(CO)Cc2cccc(F)c2)s1
InChIInChI=1S/C19H19FN2O2S/c1-12-5-6-18(25-12)16-9-21-10-17(16)19(24)22-15(11-23)8-13-3-2-4-14(20)7-13/h2-7,9-10,15,21,23H,8,11H2,1H3,(H,22,24)
InChIKeyCGTYNWGKISWVQS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide

N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 155966728) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID155966728
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2c[nH]cc2C(=O)NC(CO)Cc2cccc(F)c2)s1
InChIInChI=1S/C19H19FN2O2S/c1-12-5-6-18(25-12)16-9-21-10-17(16)19(24)22-15(11-23)8-13-3-2-4-14(20)7-13/h2-7,9-10,15,21,23H,8,11H2,1H3,(H,22,24)
InChIKeyCGTYNWGKISWVQS-UHFFFAOYSA-N
XLogP3.52
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
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CID 129358679
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
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3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
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N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide
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5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide
CID 23130377
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-2-methyl-5-(5-methyl-7-oxo-6,8-dihydro-1,5-naphthyridin-4-yl)thiophene-3-carboxamide
CID 175115277
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide (CID 155966728) is N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide is Cc1ccc(-c2c[nH]cc2C(=O)NC(CO)Cc2cccc(F)c2)s1.
What is the InChIKey of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is CGTYNWGKISWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12-5-6-18(25-12)16-9-21-10-17(16)19(24)22-15(11-23)8-13-3-2-4-14(20)7-13/h2-7,9-10,15,21,23H,8,11H2,1H3,(H,22,24).
What are the key properties of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 155966728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).