4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H21ClN2O2 — CID 94414860

IUPAC4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17-8-10(15)7-12(17)14(19)16-11-5-3-4-6-13(11)18/h7-9,11,13,18H,3-6H2,1-2H3,(H,16,19)/t11-,13-/m0/s1
InChIKeyWDIGONGIGREAKH-AAEUAGOBSA-N
MW284.79 g/mol
LogP2.76
Rot. Bonds3

About 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 94414860) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID94414860
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17-8-10(15)7-12(17)14(19)16-11-5-3-4-6-13(11)18/h7-9,11,13,18H,3-6H2,1-2H3,(H,16,19)/t11-,13-/m0/s1
InChIKeyWDIGONGIGREAKH-AAEUAGOBSA-N
XLogP2.76
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 63251778
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide
CID 104927518
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
N-[(1R,2R)-2-aminocyclohexyl]-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 93451475
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60955990
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62408223
4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60956389
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
4-chloro-1-propan-2-yl-N-prop-2-ynylpyrrole-2-carboxamide
CID 61345032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 94414860) is 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is WDIGONGIGREAKH-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)17-8-10(15)7-12(17)14(19)16-11-5-3-4-6-13(11)18/h7-9,11,13,18H,3-6H2,1-2H3,(H,16,19)/t11-,13-/m0/s1.
What are the key properties of 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 94414860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).