(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide

C19H21ClN2O2 — CID 170159902

IUPAC(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(NCc2ccc(Cl)cc2)cc1)[C@H]1CCCO1
InChIInChI=1S/C19H21ClN2O2/c20-16-7-3-14(4-8-16)12-21-17-9-5-15(6-10-17)13-22-19(23)18-2-1-11-24-18/h3-10,18,21H,1-2,11-13H2,(H,22,23)/t18-/m1/s1
InChIKeyLBIHZRAENCSFIW-GOSISDBHSA-N
MW344.84 g/mol
LogP3.75
Rot. Bonds6

About (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide

(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide (PubChem CID 170159902) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
PubChem CID170159902
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(NCc2ccc(Cl)cc2)cc1)[C@H]1CCCO1
InChIInChI=1S/C19H21ClN2O2/c20-16-7-3-14(4-8-16)12-21-17-9-5-15(6-10-17)13-22-19(23)18-2-1-11-24-18/h3-10,18,21H,1-2,11-13H2,(H,22,23)/t18-/m1/s1
InChIKeyLBIHZRAENCSFIW-GOSISDBHSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
N-[(4-chlorophenyl)methyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 2208369
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide (CID 170159902) is (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide is O=C(NCc1ccc(NCc2ccc(Cl)cc2)cc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is LBIHZRAENCSFIW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-7-3-14(4-8-16)12-21-17-9-5-15(6-10-17)13-22-19(23)18-2-1-11-24-18/h3-10,18,21H,1-2,11-13H2,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide?
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 170159902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).