1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide

C19H27FN4O3 — CID 86819884

IUPAC1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
SMILESCN(c1ccc(NC(=O)N2CCC(O)(C(N)=O)C2)cc1F)C1CCCCC1
InChIInChI=1S/C19H27FN4O3/c1-23(14-5-3-2-4-6-14)16-8-7-13(11-15(16)20)22-18(26)24-10-9-19(27,12-24)17(21)25/h7-8,11,14,27H,2-6,9-10,12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyHBUUZUGLBMQSKT-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.05
Rot. Bonds4

About 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide

1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide (PubChem CID 86819884) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
PubChem CID86819884
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
SMILESCN(c1ccc(NC(=O)N2CCC(O)(C(N)=O)C2)cc1F)C1CCCCC1
InChIInChI=1S/C19H27FN4O3/c1-23(14-5-3-2-4-6-14)16-8-7-13(11-15(16)20)22-18(26)24-10-9-19(27,12-24)17(21)25/h7-8,11,14,27H,2-6,9-10,12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyHBUUZUGLBMQSKT-UHFFFAOYSA-N
XLogP2.05
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 75369272
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55802360
(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 99797041
(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97258239
(3S)-3-hydroxy-1-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)pyrrolidine-1,3-dicarboxamide
CID 164642350
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55802327
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 146086780
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511329
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(N-methylanilino)pyrrolidine-1-carboxamide
CID 146081899
3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 72931767
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55802204
3-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 51118786

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide (CID 86819884) is 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide is CN(c1ccc(NC(=O)N2CCC(O)(C(N)=O)C2)cc1F)C1CCCCC1.
What is the InChIKey of 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide?
The InChIKey is HBUUZUGLBMQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-23(14-5-3-2-4-6-14)16-8-7-13(11-15(16)20)22-18(26)24-10-9-19(27,12-24)17(21)25/h7-8,11,14,27H,2-6,9-10,12H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide?
1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 86819884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).