N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide

C15H17ClN2O2 — CID 131889535

IUPACN-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)c1cc[nH]c1
InChIInChI=1S/C15H17ClN2O2/c1-18(15(19)12-7-8-17-11-12)9-4-10-20-14-6-3-2-5-13(14)16/h2-3,5-8,11,17H,4,9-10H2,1H3
InChIKeyNQQMNMHBLNUMAR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.21
Rot. Bonds6

About N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide

N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 131889535) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID131889535
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)c1cc[nH]c1
InChIInChI=1S/C15H17ClN2O2/c1-18(15(19)12-7-8-17-11-12)9-4-10-20-14-6-3-2-5-13(14)16/h2-3,5-8,11,17H,4,9-10H2,1H3
InChIKeyNQQMNMHBLNUMAR-UHFFFAOYSA-N
XLogP3.21
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
CID 131941696
N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
CID 131894203
N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
CID 75376412
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337377
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131946611
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336958

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide (CID 131889535) is N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide is CN(CCCOc1ccccc1Cl)C(=O)c1cc[nH]c1.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is NQQMNMHBLNUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18(15(19)12-7-8-17-11-12)9-4-10-20-14-6-3-2-5-13(14)16/h2-3,5-8,11,17H,4,9-10H2,1H3.
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide?
N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131889535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).