N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H14ClIN2O — CID 103873896

IUPACN-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H14ClIN2O/c1-9(2)18-7-3-4-13(18)14(19)17-12-6-5-10(16)8-11(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyJXDIHKIUNLNBQR-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.58
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide

N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 103873896) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID103873896
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC NameN-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H14ClIN2O/c1-9(2)18-7-3-4-13(18)14(19)17-12-6-5-10(16)8-11(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyJXDIHKIUNLNBQR-UHFFFAOYSA-N
XLogP4.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114050020
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103909507
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103274919
N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43639199
N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
CID 23162526
1-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107605953

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 103873896) is N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JXDIHKIUNLNBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-9(2)18-7-3-4-13(18)14(19)17-12-6-5-10(16)8-11(12)15/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 388.64 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103873896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).