4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide

C19H27ClN2O2 — CID 46978027

IUPAC4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H27ClN2O2/c1-15(14-22-10-2-3-11-22)21-18(23)19(8-12-24-13-9-19)16-4-6-17(20)7-5-16/h4-7,15H,2-3,8-14H2,1H3,(H,21,23)
InChIKeyHCZVJKCFKYRCRD-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.99
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide (PubChem CID 46978027) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
PubChem CID46978027
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H27ClN2O2/c1-15(14-22-10-2-3-11-22)21-18(23)19(8-12-24-13-9-19)16-4-6-17(20)7-5-16/h4-7,15H,2-3,8-14H2,1H3,(H,21,23)
InChIKeyHCZVJKCFKYRCRD-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78865674
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CID 97185327
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
4-(2-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86968785
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
CID 46978034
4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86969014
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 80588338
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
1-(3-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 86968950
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide (CID 46978027) is 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide is CC(CN1CCCC1)NC(=O)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is HCZVJKCFKYRCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-15(14-22-10-2-3-11-22)21-18(23)19(8-12-24-13-9-19)16-4-6-17(20)7-5-16/h4-7,15H,2-3,8-14H2,1H3,(H,21,23).
What are the key properties of 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 46978027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).