(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide

C21H23FN2O3 — CID 32800330

IUPAC(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C21H23FN2O3/c1-14(15-8-10-17(22)11-9-15)24(2)21(26)16-5-3-6-18(13-16)23-20(25)19-7-4-12-27-19/h3,5-6,8-11,13-14,19H,4,7,12H2,1-2H3,(H,23,25)/t14-,19-/m1/s1
InChIKeyLZICYVDUXKNANR-AUUYWEPGSA-N
MW370.42 g/mol
LogP3.78
Rot. Bonds5

About (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 32800330) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID32800330
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C21H23FN2O3/c1-14(15-8-10-17(22)11-9-15)24(2)21(26)16-5-3-6-18(13-16)23-20(25)19-7-4-12-27-19/h3,5-6,8-11,13-14,19H,4,7,12H2,1-2H3,(H,23,25)/t14-,19-/m1/s1
InChIKeyLZICYVDUXKNANR-AUUYWEPGSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate
CID 42943945
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119527172
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 75463883

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 32800330) is (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide is C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is LZICYVDUXKNANR-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14(15-8-10-17(22)11-9-15)24(2)21(26)16-5-3-6-18(13-16)23-20(25)19-7-4-12-27-19/h3,5-6,8-11,13-14,19H,4,7,12H2,1-2H3,(H,23,25)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 32800330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).