4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide

C15H17ClN2O2 — CID 18120198

IUPAC4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C15H17ClN2O2/c1-11-5-3-4-6-14(11)20-8-7-18(2)15(19)13-9-12(16)10-17-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyZWPQKMMQEJIKHB-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.13
Rot. Bonds5

About 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 18120198) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID18120198
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C15H17ClN2O2/c1-11-5-3-4-6-14(11)20-8-7-18(2)15(19)13-9-12(16)10-17-13/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyZWPQKMMQEJIKHB-UHFFFAOYSA-N
XLogP3.13
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18120203
N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
CID 75376412
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237
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CID 18120195
3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 112800692
3-[(3-chlorophenyl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 47015060
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide (CID 18120198) is 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZWPQKMMQEJIKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-11-5-3-4-6-14(11)20-8-7-18(2)15(19)13-9-12(16)10-17-13/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18120198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).