(4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide

C19H19Cl2N3O3 — CID 162520742

IUPAC(4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H]1CNC(=O)N1CCO
InChIInChI=1S/C19H19Cl2N3O3/c20-14-5-1-12(2-6-14)17(13-3-7-15(21)8-4-13)23-18(26)16-11-22-19(27)24(16)9-10-25/h1-8,16-17,25H,9-11H2,(H,22,27)(H,23,26)/t16-/m1/s1
InChIKeyNRQSHEIPTYBZAA-MRXNPFEDSA-N
MW408.29 g/mol
LogP2.59
Rot. Bonds6

About (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide

(4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520742) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID162520742
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name(4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H]1CNC(=O)N1CCO
InChIInChI=1S/C19H19Cl2N3O3/c20-14-5-1-12(2-6-14)17(13-3-7-15(21)8-4-13)23-18(26)16-11-22-19(27)24(16)9-10-25/h1-8,16-17,25H,9-11H2,(H,22,27)(H,23,26)/t16-/m1/s1
InChIKeyNRQSHEIPTYBZAA-MRXNPFEDSA-N
XLogP2.59
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803
N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423866
(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520683
(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 124619301
N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899012
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899546
1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
(3S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436537
N-[(S)-(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 175380301
(3S)-N-[(R)-(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436526

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide (CID 162520742) is (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H]1CNC(=O)N1CCO.
What is the InChIKey of (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NRQSHEIPTYBZAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c20-14-5-1-12(2-6-14)17(13-3-7-15(21)8-4-13)23-18(26)16-11-22-19(27)24(16)9-10-25/h1-8,16-17,25H,9-11H2,(H,22,27)(H,23,26)/t16-/m1/s1.
What are the key properties of (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide?
(4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[bis(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).