1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid

C19H23ClN2O3 — CID 174602891

IUPAC1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCCC1C(C(=O)O)=C(NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3/c1-2-15-16(19(24)25)17(21-13-6-4-3-5-7-13)18(23)22(15)14-10-8-12(20)9-11-14/h8-11,13,15,21H,2-7H2,1H3,(H,24,25)
InChIKeyZXVDHDZEAIKJGL-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid

1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 174602891) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID174602891
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCCC1C(C(=O)O)=C(NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3/c1-2-15-16(19(24)25)17(21-13-6-4-3-5-7-13)18(23)22(15)14-10-8-12(20)9-11-14/h8-11,13,15,21H,2-7H2,1H3,(H,24,25)
InChIKeyZXVDHDZEAIKJGL-UHFFFAOYSA-N
XLogP3.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 174617924
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
CID 53201076
3-[1-(3-chlorophenyl)-4-(cyclohexylamino)-5-oxo-2H-pyrrol-3-yl]propanoic acid
CID 50938654
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090882
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclohexylguanidine
CID 111093138
(2S,4S)-1-(4-chlorophenyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 139835169
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133494818

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid (CID 174602891) is 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid is CCC1C(C(=O)O)=C(NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is ZXVDHDZEAIKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-2-15-16(19(24)25)17(21-13-6-4-3-5-7-13)18(23)22(15)14-10-8-12(20)9-11-14/h8-11,13,15,21H,2-7H2,1H3,(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid?
1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 362.86 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 174602891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).