1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea

C16H16Cl2N2O — CID 108891823

IUPAC1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-11-14(18)3-2-4-15(11)20-16(21)19-10-9-12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyFTWSDRVLNMYDAU-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.67
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea

1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea (PubChem CID 108891823) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
PubChem CID108891823
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-11-14(18)3-2-4-15(11)20-16(21)19-10-9-12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyFTWSDRVLNMYDAU-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea (CID 108891823) is 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea is Cc1c(Cl)cccc1NC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The InChIKey is FTWSDRVLNMYDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11-14(18)3-2-4-15(11)20-16(21)19-10-9-12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea has a molecular weight of 323.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).