1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea

C18H21ClN2O — CID 17181991

IUPAC1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
SMILESCCC(NC(=O)Nc1ccc(C)cc1C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-4-16(14-6-8-15(19)9-7-14)20-18(22)21-17-10-5-12(2)11-13(17)3/h5-11,16H,4H2,1-3H3,(H2,20,21,22)
InChIKeyQYTWERNJXPOEMG-UHFFFAOYSA-N
MW316.83 g/mol
LogP5.23
Rot. Bonds4

About 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea

1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 17181991) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
PubChem CID17181991
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
SMILESCCC(NC(=O)Nc1ccc(C)cc1C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-4-16(14-6-8-15(19)9-7-14)20-18(22)21-17-10-5-12(2)11-13(17)3/h5-11,16H,4H2,1-3H3,(H2,20,21,22)
InChIKeyQYTWERNJXPOEMG-UHFFFAOYSA-N
XLogP5.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.83
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
CID 17174463
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
1-[2-(chloromethylsulfonyl)-1-(4-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 142102028
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
1-[1-[(2,4-dichlorophenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 150767864
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea (CID 17181991) is 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea is CCC(NC(=O)Nc1ccc(C)cc1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is QYTWERNJXPOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-4-16(14-6-8-15(19)9-7-14)20-18(22)21-17-10-5-12(2)11-13(17)3/h5-11,16H,4H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea?
1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 316.83 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 17181991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).