1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C18H20ClFN2O2 — CID 60580849

IUPAC1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O2/c1-12(14-5-8-17(20)16(19)11-14)22-18(23)21-10-9-13-3-6-15(24-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyDEZWNDQWBDPKPC-UHFFFAOYSA-N
MW350.82 g/mol
LogP4.09
Rot. Bonds6

About 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 60580849) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID60580849
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClFN2O2/c1-12(14-5-8-17(20)16(19)11-14)22-18(23)21-10-9-13-3-6-15(24-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyDEZWNDQWBDPKPC-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 60572992
1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 9440470
1-[2-(4-bromophenyl)ethyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108902279
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 51935182
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114
1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 118498869
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 60580849) is 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC(C)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is DEZWNDQWBDPKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12(14-5-8-17(20)16(19)11-14)22-18(23)21-10-9-13-3-6-15(24-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 350.82 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 60580849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).