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

C16H25ClN2O2 — CID 65124177

IUPAC4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2cc(Cl)cn2CC)CC1
InChIInChI=1S/C16H25ClN2O2/c1-3-12-5-7-16(21,8-6-12)11-18-15(20)14-9-13(17)10-19(14)4-2/h9-10,12,21H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyHPASKUFHLUATQV-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.22
Rot. Bonds5

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

4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (PubChem CID 65124177) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
PubChem CID65124177
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2cc(Cl)cn2CC)CC1
InChIInChI=1S/C16H25ClN2O2/c1-3-12-5-7-16(21,8-6-12)11-18-15(20)14-9-13(17)10-19(14)4-2/h9-10,12,21H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyHPASKUFHLUATQV-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65123856
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
CID 65114132
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-amino-1-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2-carboxamide
CID 81134641
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (CID 65124177) is 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is CCC1CCC(O)(CNC(=O)c2cc(Cl)cn2CC)CC1.
What is the InChIKey of 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The InChIKey is HPASKUFHLUATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-12-5-7-16(21,8-6-12)11-18-15(20)14-9-13(17)10-19(14)4-2/h9-10,12,21H,3-8,11H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide has a molecular weight of 312.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 65124177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).