N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide

C14H18Cl2N2O — CID 119743617

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCNC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-18(14(19)11-5-6-17-8-11)9-10-3-4-12(15)13(16)7-10/h3-4,7,11,17H,2,5-6,8-9H2,1H3
InChIKeyHYLUSGIXQHXDPM-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.95
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 119743617) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID119743617
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCNC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-18(14(19)11-5-6-17-8-11)9-10-3-4-12(15)13(16)7-10/h3-4,7,11,17H,2,5-6,8-9H2,1H3
InChIKeyHYLUSGIXQHXDPM-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624877
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119298606
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
CID 119688890
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 60939526
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74241386
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide (CID 119743617) is N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCNC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is HYLUSGIXQHXDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-18(14(19)11-5-6-17-8-11)9-10-3-4-12(15)13(16)7-10/h3-4,7,11,17H,2,5-6,8-9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119743617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).