1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea

C19H23ClN2O — CID 108900398

IUPAC1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
SMILESCCC(C)c1ccccc1NC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O/c1-3-14(2)16-9-5-7-11-18(16)22-19(23)21-13-12-15-8-4-6-10-17(15)20/h4-11,14H,3,12-13H2,1-2H3,(H2,21,22,23)
InChIKeyMJFPUFNRWJMJBA-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.22
Rot. Bonds6

About 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea

1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea (PubChem CID 108900398) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
PubChem CID108900398
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
SMILESCCC(C)c1ccccc1NC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O/c1-3-14(2)16-9-5-7-11-18(16)22-19(23)21-13-12-15-8-4-6-10-17(15)20/h4-11,14H,3,12-13H2,1-2H3,(H2,21,22,23)
InChIKeyMJFPUFNRWJMJBA-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506189
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874721
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
1-benzhydryl-3-(2-butan-2-ylphenyl)urea
CID 108867576
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea (CID 108900398) is 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea is CCC(C)c1ccccc1NC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
The InChIKey is MJFPUFNRWJMJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-3-14(2)16-9-5-7-11-18(16)22-19(23)21-13-12-15-8-4-6-10-17(15)20/h4-11,14H,3,12-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea?
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea has a molecular weight of 330.86 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108900398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).