1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea

C18H22FN3O2 — CID 41036483

IUPAC1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
SMILESCOc1ccccc1[C@H](CNC(=O)Nc1ccccc1F)N(C)C
InChIInChI=1S/C18H22FN3O2/c1-22(2)16(13-8-4-7-11-17(13)24-3)12-20-18(23)21-15-10-6-5-9-14(15)19/h4-11,16H,12H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeySOPKFNXCZDHMFD-INIZCTEOSA-N
MW331.39 g/mol
LogP3.26
Rot. Bonds6

About 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea

1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 41036483) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
PubChem CID41036483
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
SMILESCOc1ccccc1[C@H](CNC(=O)Nc1ccccc1F)N(C)C
InChIInChI=1S/C18H22FN3O2/c1-22(2)16(13-8-4-7-11-17(13)24-3)12-20-18(23)21-15-10-6-5-9-14(15)19/h4-11,16H,12H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeySOPKFNXCZDHMFD-INIZCTEOSA-N
XLogP3.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea
CID 52511803
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 35343501
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
CID 134057259
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea (CID 41036483) is 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea is COc1ccccc1[C@H](CNC(=O)Nc1ccccc1F)N(C)C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is SOPKFNXCZDHMFD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-22(2)16(13-8-4-7-11-17(13)24-3)12-20-18(23)21-15-10-6-5-9-14(15)19/h4-11,16H,12H2,1-3H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea?
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 331.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 41036483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).