1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea

C14H11Cl3N2O — CID 108898743

IUPAC1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3N2O/c15-10-4-1-3-9(7-10)8-18-14(20)19-13-11(16)5-2-6-12(13)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyMHJUVNMGTBJSFQ-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.97
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea

1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea (PubChem CID 108898743) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
PubChem CID108898743
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3N2O/c15-10-4-1-3-9(7-10)8-18-14(20)19-13-11(16)5-2-6-12(13)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyMHJUVNMGTBJSFQ-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
CID 108898720

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea (CID 108898743) is 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea is O=C(NCc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea?
The InChIKey is MHJUVNMGTBJSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c15-10-4-1-3-9(7-10)8-18-14(20)19-13-11(16)5-2-6-12(13)17/h1-7H,8H2,(H2,18,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea?
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea has a molecular weight of 329.61 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea is sourced from PubChem (CID 108898743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).