1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

C19H23BrN2O2 — CID 108878923

IUPAC1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)NCc1ccc(Br)cc1)Oc1ccccc1C(C)C
InChIInChI=1S/C19H23BrN2O2/c1-13(2)17-6-4-5-7-18(17)24-14(3)22-19(23)21-12-15-8-10-16(20)11-9-15/h4-11,13-14H,12H2,1-3H3,(H2,21,22,23)
InChIKeyGFIDGMMMQMICJS-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.80
Rot. Bonds6

About 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108878923) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID108878923
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)NCc1ccc(Br)cc1)Oc1ccccc1C(C)C
InChIInChI=1S/C19H23BrN2O2/c1-13(2)17-6-4-5-7-18(17)24-14(3)22-19(23)21-12-15-8-10-16(20)11-9-15/h4-11,13-14H,12H2,1-3H3,(H2,21,22,23)
InChIKeyGFIDGMMMQMICJS-UHFFFAOYSA-N
XLogP4.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878836
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787
1-(4-phenylbutyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878945
1-(3-bromophenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878820
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931
2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 113100170
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878886
1-[(4-bromophenyl)methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506072
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880583
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880780
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108878902

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (CID 108878923) is 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is CC(NC(=O)NCc1ccc(Br)cc1)Oc1ccccc1C(C)C.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is GFIDGMMMQMICJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-13(2)17-6-4-5-7-18(17)24-14(3)22-19(23)21-12-15-8-10-16(20)11-9-15/h4-11,13-14H,12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 391.31 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108878923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).