N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

C14H15F2N3O2 — CID 114610106

IUPACN-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccn2CC(F)F)ccc1N
InChIInChI=1S/C14H15F2N3O2/c1-21-12-7-9(4-5-10(12)17)18-14(20)11-3-2-6-19(11)8-13(15)16/h2-7,13H,8,17H2,1H3,(H,18,20)
InChIKeyYEUHANQCCNHAQK-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.60
Rot. Bonds5

About N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (PubChem CID 114610106) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
PubChem CID114610106
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccn2CC(F)F)ccc1N
InChIInChI=1S/C14H15F2N3O2/c1-21-12-7-9(4-5-10(12)17)18-14(20)11-3-2-6-19(11)8-13(15)16/h2-7,13H,8,17H2,1H3,(H,18,20)
InChIKeyYEUHANQCCNHAQK-UHFFFAOYSA-N
XLogP2.60
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61240041
N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609290
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
methyl 2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]acetate
CID 114610698
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
methyl 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate
CID 114610707
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (CID 114610106) is N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is COc1cc(NC(=O)c2cccn2CC(F)F)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The InChIKey is YEUHANQCCNHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-21-12-7-9(4-5-10(12)17)18-14(20)11-3-2-6-19(11)8-13(15)16/h2-7,13H,8,17H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).