2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C19H20Cl2N2O2 — CID 67243293

IUPAC2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c20-17-6-1-13(11-18(17)21)8-10-25-19(24)23-16-4-2-14(3-5-16)15-7-9-22-12-15/h1-6,11,15,22H,7-10,12H2,(H,23,24)
InChIKeyXSQYZRDOGXSPPO-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.86
Rot. Bonds5

About 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67243293) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67243293
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c20-17-6-1-13(11-18(17)21)8-10-25-19(24)23-16-4-2-14(3-5-16)15-7-9-22-12-15/h1-6,11,15,22H,7-10,12H2,(H,23,24)
InChIKeyXSQYZRDOGXSPPO-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67241442
2-[4-(trifluoromethoxy)phenyl]ethyl N-[4-[(3R)-pyrrolidin-3-yl]phenyl]carbamate
CID 175718234
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
CID 114796625
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
CID 124566217
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
1-(4-butyl-2-methylphenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;1-(3,4-dichlorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
CID 160782961
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67243293) is 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is XSQYZRDOGXSPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-17-6-1-13(11-18(17)21)8-10-25-19(24)23-16-4-2-14(3-5-16)15-7-9-22-12-15/h1-6,11,15,22H,7-10,12H2,(H,23,24).
What are the key properties of 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 379.29 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67243293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).