N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide

C16H23ClN2O — CID 86880870

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O/c1-12-8-9-19(10-12)15(20)18-11-16(2,3)13-4-6-14(17)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyHFXDWRHKOYGJKP-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.67
Rot. Bonds3

About N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 86880870) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
PubChem CID86880870
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O/c1-12-8-9-19(10-12)15(20)18-11-16(2,3)13-4-6-14(17)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyHFXDWRHKOYGJKP-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
CID 48957326
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 113213456
3-methyl-N-(2,2,4-trimethyl-4-sulfanylpentyl)pyrrolidine-1-carboxamide
CID 155742876
N-[2-(4-chlorophenyl)-2-methylpropyl]-8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 139000224
2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one
CID 157331014
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
3-(hydroxymethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 111444071
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958776
3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide
CID 20744171

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide (CID 86880870) is N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is HFXDWRHKOYGJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-8-9-19(10-12)15(20)18-11-16(2,3)13-4-6-14(17)7-5-13/h4-7,12H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86880870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).