4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide

C14H19ClN2O2 — CID 65114132

IUPAC4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H19ClN2O2/c15-10-7-12(17(8-10)11-3-4-11)13(18)16-9-14(19)5-1-2-6-14/h7-8,11,19H,1-6,9H2,(H,16,18)
InChIKeyXSSXHLJZIAZVDA-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.51
Rot. Bonds4

About 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide

4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide (PubChem CID 65114132) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
PubChem CID65114132
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H19ClN2O2/c15-10-7-12(17(8-10)11-3-4-11)13(18)16-9-14(19)5-1-2-6-14/h7-8,11,19H,1-6,9H2,(H,16,18)
InChIKeyXSSXHLJZIAZVDA-UHFFFAOYSA-N
XLogP2.51
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640281
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81065103
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
CID 43640351
N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 61401000
4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65124177
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104
4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide
CID 106143139
4-chloro-1-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrole-2-carboxamide
CID 79252428
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide (CID 65114132) is 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide is O=C(NCC1(O)CCCC1)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide?
The InChIKey is XSSXHLJZIAZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-10-7-12(17(8-10)11-3-4-11)13(18)16-9-14(19)5-1-2-6-14/h7-8,11,19H,1-6,9H2,(H,16,18).
What are the key properties of 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 65114132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).