(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

C14H19ClN2O — CID 51694827

IUPAC(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-10(2)16-14(18)17-9-3-4-13(17)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyFNBNQCQKWQYJII-ZDUSSCGKSA-N
MW266.77 g/mol
LogP3.59
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 51694827) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID51694827
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-10(2)16-14(18)17-9-3-4-13(17)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyFNBNQCQKWQYJII-ZDUSSCGKSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
(2S)-2-amino-1-[2-(4-chlorophenyl)azepan-1-yl]propan-1-one
CID 119328712
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 51694827) is (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is FNBNQCQKWQYJII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(2)16-14(18)17-9-3-4-13(17)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51694827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).