N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide

C15H21ClN2O — CID 63140326

IUPACN-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C15H21ClN2O/c1-3-15(8-9-17-11-15)14(19)18(2)10-12-4-6-13(16)7-5-12/h4-7,17H,3,8-11H2,1-2H3
InChIKeyDTKVOABAWOKWNC-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.69
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide (PubChem CID 63140326) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
PubChem CID63140326
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)Cc2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C15H21ClN2O/c1-3-15(8-9-17-11-15)14(19)18(2)10-12-4-6-13(16)7-5-12/h4-7,17H,3,8-11H2,1-2H3
InChIKeyDTKVOABAWOKWNC-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128540
N-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140449
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63130194
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139572

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide (CID 63140326) is N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide is CCC1(C(=O)N(C)Cc2ccc(Cl)cc2)CCNC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide?
The InChIKey is DTKVOABAWOKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-15(8-9-17-11-15)14(19)18(2)10-12-4-6-13(16)7-5-12/h4-7,17H,3,8-11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).