4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide

C13H21ClN2O2 — CID 114177451

IUPAC4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC(CCO)C(C)C
InChIInChI=1S/C13H21ClN2O2/c1-4-16-8-10(14)7-12(16)13(18)15-11(5-6-17)9(2)3/h7-9,11,17H,4-6H2,1-3H3,(H,15,18)
InChIKeyBFIPIBIUJMLKBW-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.30
Rot. Bonds6

About 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide

4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide (PubChem CID 114177451) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide
PubChem CID114177451
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC(CCO)C(C)C
InChIInChI=1S/C13H21ClN2O2/c1-4-16-8-10(14)7-12(16)13(18)15-11(5-6-17)9(2)3/h7-9,11,17H,4-6H2,1-3H3,(H,15,18)
InChIKeyBFIPIBIUJMLKBW-UHFFFAOYSA-N
XLogP2.30
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43639447
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43639403
(2R)-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975609
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79246119
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
4-amino-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 43639423
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
4-chloro-1-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrole-2-carboxamide
CID 79252428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide (CID 114177451) is 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NC(CCO)C(C)C.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide?
The InChIKey is BFIPIBIUJMLKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-4-16-8-10(14)7-12(16)13(18)15-11(5-6-17)9(2)3/h7-9,11,17H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 2.30, 6 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-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114177451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).