4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide

C13H19ClN2O2 — CID 126427628

IUPAC4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(CC[C@H]1CCCCO1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H19ClN2O2/c1-16(6-5-11-4-2-3-7-18-11)13(17)12-8-10(14)9-15-12/h8-9,11,15H,2-7H2,1H3/t11-/m1/s1
InChIKeyHXAPXKFMFIDKRP-LLVKDONJSA-N
MW270.76 g/mol
LogP2.70
Rot. Bonds4

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

4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 126427628) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID126427628
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(CC[C@H]1CCCCO1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H19ClN2O2/c1-16(6-5-11-4-2-3-7-18-11)13(17)12-8-10(14)9-15-12/h8-9,11,15H,2-7H2,1H3/t11-/m1/s1
InChIKeyHXAPXKFMFIDKRP-LLVKDONJSA-N
XLogP2.70
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71879931
CID 71879931
CID 71913925
CID 71913925
CID 71977479
CID 71977479
CID 84588943
CID 84588943
CID 100029126
CID 100029126
CID 18119524
CID 18119524
CID 28740798
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CID 35071339
CID 35071339

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 126427628) is 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide is CN(CC[C@H]1CCCCO1)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HXAPXKFMFIDKRP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16(6-5-11-4-2-3-7-18-11)13(17)12-8-10(14)9-15-12/h8-9,11,15H,2-7H2,1H3/t11-/m1/s1.
What are the key properties of 4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.70, 4 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-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126427628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).