4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide

C10H13ClF2N2O2 — CID 114153098

IUPAC4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H13ClF2N2O2/c1-2-15-4-7(11)3-8(15)9(17)14-5-10(12,13)6-16/h3-4,16H,2,5-6H2,1H3,(H,14,17)
InChIKeyACNPJGZZUGHWTD-UHFFFAOYSA-N
MW266.67 g/mol
LogP1.52
Rot. Bonds5

About 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide

4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 114153098) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.67 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
PubChem CID114153098
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.67 g/mol
Exact Mass266.06
IUPAC Name4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H13ClF2N2O2/c1-2-15-4-7(11)3-8(15)9(17)14-5-10(12,13)6-16/h3-4,16H,2,5-6H2,1H3,(H,14,17)
InChIKeyACNPJGZZUGHWTD-UHFFFAOYSA-N
XLogP1.52
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethylpyrrole-2-carboxamide
CID 106143135
4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 64557195
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 106164382
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 81066132
4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
CID 61132430
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1-ethylpyrrole-2-carboxamide
CID 66170742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide (CID 114153098) is 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is ACNPJGZZUGHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O2/c1-2-15-4-7(11)3-8(15)9(17)14-5-10(12,13)6-16/h3-4,16H,2,5-6H2,1H3,(H,14,17).
What are the key properties of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide?
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 266.67 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 114153098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).