1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea

C19H23ClN2O2 — CID 132652765

IUPAC1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
SMILESCOc1ccc(C(CC(C)C)NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)11-18(14-7-9-17(24-3)10-8-14)22-19(23)21-16-6-4-5-15(20)12-16/h4-10,12-13,18H,11H2,1-3H3,(H2,21,22,23)
InChIKeyLPUSEITZXRYLJL-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.26
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea

1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea (PubChem CID 132652765) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
PubChem CID132652765
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
SMILESCOc1ccc(C(CC(C)C)NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)11-18(14-7-9-17(24-3)10-8-14)22-19(23)21-16-6-4-5-15(20)12-16/h4-10,12-13,18H,11H2,1-3H3,(H2,21,22,23)
InChIKeyLPUSEITZXRYLJL-UHFFFAOYSA-N
XLogP5.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(3-methylphenyl)thiourea
CID 133215619
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
1-(3-ethoxyphenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 133215662
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646046

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea (CID 132652765) is 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea is COc1ccc(C(CC(C)C)NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea?
The InChIKey is LPUSEITZXRYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)11-18(14-7-9-17(24-3)10-8-14)22-19(23)21-16-6-4-5-15(20)12-16/h4-10,12-13,18H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea?
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea has a molecular weight of 346.86 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea is sourced from PubChem (CID 132652765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).