[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate

C16H20ClNO4 — CID 7791264

IUPAC[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate
SMILESO=C(CCCC(=O)OC[C@@H]1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO4/c17-12-6-8-13(9-7-12)18-15(19)4-1-5-16(20)22-11-14-3-2-10-21-14/h6-9,14H,1-5,10-11H2,(H,18,19)/t14-/m0/s1
InChIKeyAWCCVQVMUITHBD-AWEZNQCLSA-N
MW325.79 g/mol
LogP3.17
Rot. Bonds7

About [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate

[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate (PubChem CID 7791264) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate
PubChem CID7791264
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate
SMILESO=C(CCCC(=O)OC[C@@H]1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO4/c17-12-6-8-13(9-7-12)18-15(19)4-1-5-16(20)22-11-14-3-2-10-21-14/h6-9,14H,1-5,10-11H2,(H,18,19)/t14-/m0/s1
InChIKeyAWCCVQVMUITHBD-AWEZNQCLSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 9417466

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate (CID 7791264) is [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate is O=C(CCCC(=O)OC[C@@H]1CCCO1)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate?
The InChIKey is AWCCVQVMUITHBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClNO4/c17-12-6-8-13(9-7-12)18-15(19)4-1-5-16(20)22-11-14-3-2-10-21-14/h6-9,14H,1-5,10-11H2,(H,18,19)/t14-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate?
[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate has a molecular weight of 325.79 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate is sourced from PubChem (CID 7791264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).