2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide

C15H17FN4O3 — CID 174600122

IUPAC2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(N)=O)c(N(N)C=O)[nH]1
InChIInChI=1S/C15H17FN4O3/c1-2-5-23-13-4-3-9(16)6-10(13)12-7-11(14(17)22)15(19-12)20(18)8-21/h3-4,6-8,19H,2,5,18H2,1H3,(H2,17,22)
InChIKeyXOXLTCVGIBVESL-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.54
Rot. Bonds7

About 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide

2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 174600122) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID174600122
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(N)=O)c(N(N)C=O)[nH]1
InChIInChI=1S/C15H17FN4O3/c1-2-5-23-13-4-3-9(16)6-10(13)12-7-11(14(17)22)15(19-12)20(18)8-21/h3-4,6-8,19H,2,5,18H2,1H3,(H2,17,22)
InChIKeyXOXLTCVGIBVESL-UHFFFAOYSA-N
XLogP1.54
TPSA114.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11416515
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
2-(carbamoylamino)-5-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 59285990
methyl (Z)-4-(5-fluoro-2-propoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82551401
4-fluoro-2-propoxybenzaldehyde
CID 74889364
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943

Frequently Asked Questions

What is the IUPAC name of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide (CID 174600122) is 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide is CCCOc1ccc(F)cc1-c1cc(C(N)=O)c(N(N)C=O)[nH]1.
What is the InChIKey of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is XOXLTCVGIBVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-2-5-23-13-4-3-9(16)6-10(13)12-7-11(14(17)22)15(19-12)20(18)8-21/h3-4,6-8,19H,2,5,18H2,1H3,(H2,17,22).
What are the key properties of 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 174600122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).