4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide

C11H10IN3O — CID 43643239

IUPAC4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C11H10IN3O/c12-7-1-3-9(4-2-7)15-11(16)10-5-8(13)6-14-10/h1-6,14H,13H2,(H,15,16)
InChIKeyGXFKXTNSUCXMHB-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.45
Rot. Bonds2

About 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643239) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643239
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C11H10IN3O/c12-7-1-3-9(4-2-7)15-11(16)10-5-8(13)6-14-10/h1-6,14H,13H2,(H,15,16)
InChIKeyGXFKXTNSUCXMHB-UHFFFAOYSA-N
XLogP2.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642905
4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
CID 107786819
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43642778
4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 43643375
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
CID 54955471
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide (CID 43643239) is 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GXFKXTNSUCXMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c12-7-1-3-9(4-2-7)15-11(16)10-5-8(13)6-14-10/h1-6,14H,13H2,(H,15,16).
What are the key properties of 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 327.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).