1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea

C15H14ClFN2O — CID 47193368

IUPAC1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O/c1-10-13(16)6-3-7-14(10)19-15(20)18-9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyHCCHISOKGCSUNM-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea

1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea (PubChem CID 47193368) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
PubChem CID47193368
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O/c1-10-13(16)6-3-7-14(10)19-15(20)18-9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyHCCHISOKGCSUNM-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
3-[(3-chloro-2-methylphenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348878
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 108898583
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea (CID 47193368) is 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea is Cc1c(Cl)cccc1NC(=O)NCc1cccc(F)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is HCCHISOKGCSUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10-13(16)6-3-7-14(10)19-15(20)18-9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 292.74 g/mol, XLogP of 4.11, 3 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-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 47193368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).