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

C12H10F3N3O2 — CID 43642905

IUPAC4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)18-11(19)10-5-7(16)6-17-10/h1-6,17H,16H2,(H,18,19)
InChIKeyQNXFOBHNMUWTLZ-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.75
Rot. Bonds3

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

4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43642905) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43642905
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)18-11(19)10-5-7(16)6-17-10/h1-6,17H,16H2,(H,18,19)
InChIKeyQNXFOBHNMUWTLZ-UHFFFAOYSA-N
XLogP2.75
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.75
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-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 90317246
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 90317223
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide (CID 43642905) is 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QNXFOBHNMUWTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)20-9-3-1-8(2-4-9)18-11(19)10-5-7(16)6-17-10/h1-6,17H,16H2,(H,18,19).
What are the key properties of 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).