2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide

C13H13FN4O3 — CID 59285843

IUPAC2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cc(F)ccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1
InChIInChI=1S/C13H13FN4O3/c1-21-10-4-6(14)2-3-7(10)9-5-8(11(15)19)12(17-9)18-13(16)20/h2-5,17H,1H3,(H2,15,19)(H3,16,18,20)
InChIKeyYFFTZVQJXVQSNC-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.42
Rot. Bonds4

About 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 59285843) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID59285843
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cc(F)ccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1
InChIInChI=1S/C13H13FN4O3/c1-21-10-4-6(14)2-3-7(10)9-5-8(11(15)19)12(17-9)18-13(16)20/h2-5,17H,1H3,(H2,15,19)(H3,16,18,20)
InChIKeyYFFTZVQJXVQSNC-UHFFFAOYSA-N
XLogP1.42
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285855
ethyl 4-[2-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]phenoxy]butanoate
CID 59285985
5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828429
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
5-[2-(2-fluorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 90413637
2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
CID 59285840
2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285824
5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide
CID 145464613
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide
CID 140548827

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 59285843) is 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1cc(F)ccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is YFFTZVQJXVQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-21-10-4-6(14)2-3-7(10)9-5-8(11(15)19)12(17-9)18-13(16)20/h2-5,17H,1H3,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 292.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).