1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea

C24H24ClF2N3O3 — CID 69402645

IUPAC1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea
SMILESCOc1cc(CN(CCN)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C24H24ClF2N3O3/c1-32-23-12-16(6-9-22(23)33-15-17-7-8-18(26)13-20(17)27)14-30(11-10-28)24(31)29-21-5-3-2-4-19(21)25/h2-9,12-13H,10-11,14-15,28H2,1H3,(H,29,31)
InChIKeyVLIJZMPETAWGRW-UHFFFAOYSA-N
MW475.92 g/mol
LogP5.20
Rot. Bonds9

About 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea

1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea (PubChem CID 69402645) has the molecular formula C24H24ClF2N3O3 and a molecular weight of 475.92 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea
PubChem CID69402645
Molecular FormulaC24H24ClF2N3O3
Molecular Weight475.92 g/mol
Exact Mass475.15
IUPAC Name1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea
SMILESCOc1cc(CN(CCN)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C24H24ClF2N3O3/c1-32-23-12-16(6-9-22(23)33-15-17-7-8-18(26)13-20(17)27)14-30(11-10-28)24(31)29-21-5-3-2-4-19(21)25/h2-9,12-13H,10-11,14-15,28H2,1H3,(H,29,31)
InChIKeyVLIJZMPETAWGRW-UHFFFAOYSA-N
XLogP5.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.92
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea with MolForge

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Related Compounds

1-(2-aminoethyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-(4-fluorophenyl)urea
CID 71175923
N-(2-aminoethyl)-N-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]thiophene-2-carboxamide
CID 59799983
N-(2-aminoethyl)-N-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69314927
tert-butyl N-[2-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-fluorophenyl)carbamoyl]amino]ethyl]carbamate
CID 71175721
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
1-(2-aminoethyl)-1-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 69411081
1-(2-aminoethyl)-1-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-[1-(4-fluorophenyl)ethyl]urea;hydrochloride
CID 69411080
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea?
The IUPAC name of 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea (CID 69402645) is 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea is COc1cc(CN(CCN)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea?
The InChIKey is VLIJZMPETAWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O3/c1-32-23-12-16(6-9-22(23)33-15-17-7-8-18(26)13-20(17)27)14-30(11-10-28)24(31)29-21-5-3-2-4-19(21)25/h2-9,12-13H,10-11,14-15,28H2,1H3,(H,29,31).
What are the key properties of 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea?
1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea has a molecular weight of 475.92 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(2-chlorophenyl)-1-[[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]urea is sourced from PubChem (CID 69402645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).