1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea

C19H23ClN2O2 — CID 113216348

IUPAC1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)24-17-11-9-16(10-12-17)21-18(23)22-19(3,4)14-5-7-15(20)8-6-14/h5-13H,1-4H3,(H2,21,22,23)
InChIKeyDKPKHEFAYSQSLV-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.18
Rot. Bonds5

About 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea

1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 113216348) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
PubChem CID113216348
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)24-17-11-9-16(10-12-17)21-18(23)22-19(3,4)14-5-7-15(20)8-6-14/h5-13H,1-4H3,(H2,21,22,23)
InChIKeyDKPKHEFAYSQSLV-UHFFFAOYSA-N
XLogP5.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 79791702
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 113216373
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea (CID 113216348) is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is DKPKHEFAYSQSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)24-17-11-9-16(10-12-17)21-18(23)22-19(3,4)14-5-7-15(20)8-6-14/h5-13H,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea?
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 346.86 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 113216348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).