1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea

C19H24ClN3O — CID 11681737

IUPAC1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-14-6-4-5-7-17(14)21-19(24)22-18(12-13-23(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyBQXQEVHKVFXHKB-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.46
Rot. Bonds6

About 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea

1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea (PubChem CID 11681737) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea
PubChem CID11681737
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c1-14-6-4-5-7-17(14)21-19(24)22-18(12-13-23(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyBQXQEVHKVFXHKB-UHFFFAOYSA-N
XLogP4.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea (CID 11681737) is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NC(CCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea?
The InChIKey is BQXQEVHKVFXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-6-4-5-7-17(14)21-19(24)22-18(12-13-23(2)3)15-8-10-16(20)11-9-15/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea?
1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea has a molecular weight of 345.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 11681737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).