N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H16ClFN2O — CID 25189694

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-10(2)19-8-4-7-14(19)15(20)18-9-11-12(16)5-3-6-13(11)17/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyJMUZKJNBVKZXKF-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 25189694) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID25189694
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-10(2)19-8-4-7-14(19)15(20)18-9-11-12(16)5-3-6-13(11)17/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyJMUZKJNBVKZXKF-UHFFFAOYSA-N
XLogP3.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9865384
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N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
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CID 11019886
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N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
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CID 24857830
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CID 668839
4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7-chloropyrrolo[1,2-a]pyrazin-1(2H)-one
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 25189694) is N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JMUZKJNBVKZXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(2)19-8-4-7-14(19)15(20)18-9-11-12(16)5-3-6-13(11)17/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 25189694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).