(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide

C19H20BrClN2O2 — CID 170437173

IUPAC(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC(O)(c1ccc(Cl)cc1)c1ccc(Br)cc1)[C@@H]1CCCN1
InChIInChI=1S/C19H20BrClN2O2/c20-15-7-3-13(4-8-15)19(25,14-5-9-16(21)10-6-14)12-23-18(24)17-2-1-11-22-17/h3-10,17,22,25H,1-2,11-12H2,(H,23,24)/t17-,19?/m0/s1
InChIKeyPWXUCEAQEBXADF-KKFHFHRHSA-N
MW423.74 g/mol
LogP3.21
Rot. Bonds5

About (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide (PubChem CID 170437173) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
PubChem CID170437173
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC(O)(c1ccc(Cl)cc1)c1ccc(Br)cc1)[C@@H]1CCCN1
InChIInChI=1S/C19H20BrClN2O2/c20-15-7-3-13(4-8-15)19(25,14-5-9-16(21)10-6-14)12-23-18(24)17-2-1-11-22-17/h3-10,17,22,25H,1-2,11-12H2,(H,23,24)/t17-,19?/m0/s1
InChIKeyPWXUCEAQEBXADF-KKFHFHRHSA-N
XLogP3.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
N-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 119299525
N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxyacetamide
CID 170437238
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 110887592
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide (CID 170437173) is (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide is O=C(NCC(O)(c1ccc(Cl)cc1)c1ccc(Br)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
The InChIKey is PWXUCEAQEBXADF-KKFHFHRHSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c20-15-7-3-13(4-8-15)19(25,14-5-9-16(21)10-6-14)12-23-18(24)17-2-1-11-22-17/h3-10,17,22,25H,1-2,11-12H2,(H,23,24)/t17-,19?/m0/s1.
What are the key properties of (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide has a molecular weight of 423.74 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-bromophenyl)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170437173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).