4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide

C12H11F2N3O2 — CID 43643328

IUPAC4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C12H11F2N3O2/c13-12(14)19-10-4-2-1-3-8(10)17-11(18)9-5-7(15)6-16-9/h1-6,12,16H,15H2,(H,17,18)
InChIKeyDXFKXWNIWBIYRZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.45
Rot. Bonds4

About 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43643328) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43643328
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C12H11F2N3O2/c13-12(14)19-10-4-2-1-3-8(10)17-11(18)9-5-7(15)6-16-9/h1-6,12,16H,15H2,(H,17,18)
InChIKeyDXFKXWNIWBIYRZ-UHFFFAOYSA-N
XLogP2.45
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 61102984
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide (CID 43643328) is 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DXFKXWNIWBIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c13-12(14)19-10-4-2-1-3-8(10)17-11(18)9-5-7(15)6-16-9/h1-6,12,16H,15H2,(H,17,18).
What are the key properties of 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).