(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide

C18H18ClNO3 — CID 9171691

IUPAC(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C18H18ClNO3/c1-12-4-2-5-14(10-12)23-16-8-7-13(19)11-15(16)20-18(21)17-6-3-9-22-17/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyMHLCWROIGNHZLO-QGZVFWFLSA-N
MW331.80 g/mol
LogP4.56
Rot. Bonds4

About (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide

(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide (PubChem CID 9171691) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide
PubChem CID9171691
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C18H18ClNO3/c1-12-4-2-5-14(10-12)23-16-8-7-13(19)11-15(16)20-18(21)17-6-3-9-22-17/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyMHLCWROIGNHZLO-QGZVFWFLSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
methyl 3-[4-chloro-2-[[(2R)-oxolane-2-carbonyl]amino]anilino]-2-methylbenzoate
CID 67129331
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 2465492
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide (CID 9171691) is (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide is Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide?
The InChIKey is MHLCWROIGNHZLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12-4-2-5-14(10-12)23-16-8-7-13(19)11-15(16)20-18(21)17-6-3-9-22-17/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide?
(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 9171691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).