N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide

C20H18FN3O2 — CID 99817029

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C20H18FN3O2/c1-12-15(21)10-14(19(22)25)11-16(12)23-20(26)18-9-8-17(24(18)2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,25)(H,23,26)
InChIKeyUBCIUEHUKKUXQS-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.49
Rot. Bonds4

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide (PubChem CID 99817029) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide
PubChem CID99817029
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C20H18FN3O2/c1-12-15(21)10-14(19(22)25)11-16(12)23-20(26)18-9-8-17(24(18)2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,25)(H,23,26)
InChIKeyUBCIUEHUKKUXQS-UHFFFAOYSA-N
XLogP3.49
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55972126
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N-(5-carbamoyl-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362899
3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide
CID 55784491
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
CID 87045715
4-(5-carbamoyl-3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993167
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
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N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 81227752
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-5-fluoro-4-methylbenzamide
CID 55784945

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide (CID 99817029) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1ccc(-c2ccccc2)n1C.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide?
The InChIKey is UBCIUEHUKKUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12-15(21)10-14(19(22)25)11-16(12)23-20(26)18-9-8-17(24(18)2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-methyl-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 99817029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).