N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide

C16H23ClN2O2 — CID 119812067

IUPACN-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CC(O)CN1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,8-11-4-3-5-12(17)6-11)10-19-15(21)14-7-13(20)9-18-14/h3-6,13-14,18,20H,7-10H2,1-2H3,(H,19,21)
InChIKeySLGJQIJWHZYLSB-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.75
Rot. Bonds5

About N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide

N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119812067) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119812067
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CC(O)CN1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,8-11-4-3-5-12(17)6-11)10-19-15(21)14-7-13(20)9-18-14/h3-6,13-14,18,20H,7-10H2,1-2H3,(H,19,21)
InChIKeySLGJQIJWHZYLSB-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992
(3-chlorophenyl)methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 65127027
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119704304
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 106247664
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119812067) is N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)(CNC(=O)C1CC(O)CN1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SLGJQIJWHZYLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,8-11-4-3-5-12(17)6-11)10-19-15(21)14-7-13(20)9-18-14/h3-6,13-14,18,20H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119812067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).