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

C17H19ClN2O — CID 94841865

IUPAC1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O/c1-11-4-9-16(12(2)10-11)13(3)19-17(21)20-15-7-5-14(18)6-8-15/h4-10,13H,1-3H3,(H2,19,20,21)/t13-/m0/s1
InChIKeyFYRKULCLXIOVQM-ZDUSSCGKSA-N
MW302.81 g/mol
LogP4.84
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea (PubChem CID 94841865) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
PubChem CID94841865
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O/c1-11-4-9-16(12(2)10-11)13(3)19-17(21)20-15-7-5-14(18)6-8-15/h4-10,13H,1-3H3,(H2,19,20,21)/t13-/m0/s1
InChIKeyFYRKULCLXIOVQM-ZDUSSCGKSA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114
1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea
CID 125448403

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea (CID 94841865) is 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea is Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea?
The InChIKey is FYRKULCLXIOVQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-4-9-16(12(2)10-11)13(3)19-17(21)20-15-7-5-14(18)6-8-15/h4-10,13H,1-3H3,(H2,19,20,21)/t13-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea has a molecular weight of 302.81 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 94841865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).