2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate

C16H23ClN2O2 — CID 6735969

IUPAC2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
SMILESCCN1CCCC1CNC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-2-19-10-5-7-14(19)12-18-16(20)21-11-9-13-6-3-4-8-15(13)17/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,18,20)
InChIKeyVLXCPRKLAIGGON-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.09
Rot. Bonds6

About 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate

2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate (PubChem CID 6735969) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
PubChem CID6735969
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
SMILESCCN1CCCC1CNC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-2-19-10-5-7-14(19)12-18-16(20)21-11-9-13-6-3-4-8-15(13)17/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,18,20)
InChIKeyVLXCPRKLAIGGON-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
2-[[[2-(2-chlorophenyl)ethylamino]-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111842536
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111260611
2-[(2-ethylphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111817670

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
The IUPAC name of 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate (CID 6735969) is 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
The canonical SMILES for 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate is CCN1CCCC1CNC(=O)OCCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
The InChIKey is VLXCPRKLAIGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-19-10-5-7-14(19)12-18-16(20)21-11-9-13-6-3-4-8-15(13)17/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,18,20).
What are the key properties of 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate has a molecular weight of 310.82 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 6735969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).