N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide

C16H19IN2O — CID 15470746

IUPACN,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccn1Cc1ccccc1I
InChIInChI=1S/C16H19IN2O/c1-3-18(4-2)16(20)15-10-7-11-19(15)12-13-8-5-6-9-14(13)17/h5-11H,3-4,12H2,1-2H3
InChIKeyRONBKAWIDWXSJQ-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.62
Rot. Bonds5

About N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide

N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide (PubChem CID 15470746) has the molecular formula C16H19IN2O and a molecular weight of 382.25 g/mol. Its IUPAC name is N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide
PubChem CID15470746
Molecular FormulaC16H19IN2O
Molecular Weight382.25 g/mol
Exact Mass382.05
IUPAC NameN,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccn1Cc1ccccc1I
InChIInChI=1S/C16H19IN2O/c1-3-18(4-2)16(20)15-10-7-11-19(15)12-13-8-5-6-9-14(13)17/h5-11H,3-4,12H2,1-2H3
InChIKeyRONBKAWIDWXSJQ-UHFFFAOYSA-N
XLogP3.62
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide
CID 101238923
1-[1-[(2-iodophenyl)methyl]pyrrol-2-yl]ethenolate
CID 132849173
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609486
1-[1-[[2-(chloromethyl)phenyl]methyl]pyrrol-2-yl]ethanone
CID 14612751
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
2-[2-[(2-carbamothioylpyrrol-1-yl)methyl]phenyl]acetic acid
CID 114653807
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 114608807
N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610851

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide (CID 15470746) is N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide is CCN(CC)C(=O)c1cccn1Cc1ccccc1I.
What is the InChIKey of N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is RONBKAWIDWXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O/c1-3-18(4-2)16(20)15-10-7-11-19(15)12-13-8-5-6-9-14(13)17/h5-11H,3-4,12H2,1-2H3.
What are the key properties of N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide?
N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 15470746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).