N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide

C15H21ClN2O — CID 63716502

IUPACN-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-8-17-9-14(10)15(19)18(3)11(2)12-5-4-6-13(16)7-12/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyGJBBKYIXGKZZQO-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 63716502) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID63716502
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-8-17-9-14(10)15(19)18(3)11(2)12-5-4-6-13(16)7-12/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyGJBBKYIXGKZZQO-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78981469
N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716151
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide (CID 63716502) is N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GJBBKYIXGKZZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-8-17-9-14(10)15(19)18(3)11(2)12-5-4-6-13(16)7-12/h4-7,10-11,14,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63716502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).