N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C18H20Cl2N2O2 — CID 119768236

IUPACN-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1-c1ccc(Cl)cc1)C1CC(O)CN1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-14-7-5-12(6-8-14)16-4-2-1-3-13(16)10-21-18(23)17-9-15(22)11-20-17;/h1-8,15,17,20,22H,9-11H2,(H,21,23);1H
InChIKeyJXAMROPVHNWQIJ-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.77
Rot. Bonds4

About N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119768236) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119768236
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC NameN-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1-c1ccc(Cl)cc1)C1CC(O)CN1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-14-7-5-12(6-8-14)16-4-2-1-3-13(16)10-21-18(23)17-9-15(22)11-20-17;/h1-8,15,17,20,22H,9-11H2,(H,21,23);1H
InChIKeyJXAMROPVHNWQIJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119783927
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119768236) is N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1-c1ccc(Cl)cc1)C1CC(O)CN1.
What is the InChIKey of N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JXAMROPVHNWQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c19-14-7-5-12(6-8-14)16-4-2-1-3-13(16)10-21-18(23)17-9-15(22)11-20-17;/h1-8,15,17,20,22H,9-11H2,(H,21,23);1H.
What are the key properties of N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119768236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).