1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea

C14H11Cl2FN2O — CID 88614425

IUPAC1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea
SMILESO=C(N(Cl)CF)N(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c15-12-8-4-5-9-13(12)19(14(20)18(16)10-17)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyIVDYTIHWLDHNLO-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.98
Rot. Bonds3

About 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea

1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea (PubChem CID 88614425) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea.

Molecular Properties

Compound Name1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea
PubChem CID88614425
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea
SMILESO=C(N(Cl)CF)N(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c15-12-8-4-5-9-13(12)19(14(20)18(16)10-17)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyIVDYTIHWLDHNLO-UHFFFAOYSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
carbonic acid;N,N,2-trichloroaniline
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N-(2-fluorophenyl)-N-phenylcarbamoyl chloride
CID 54022555
1-(2-chlorophenyl)-1-(4-ethylphenyl)urea
CID 174390843
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
CID 134110940
N-(2,6-dichlorophenyl)-N-phenylbenzamide
CID 14251439
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea?
The IUPAC name of 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea (CID 88614425) is 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea.
What is the SMILES notation for 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea?
The canonical SMILES for 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea is O=C(N(Cl)CF)N(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea?
The InChIKey is IVDYTIHWLDHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-12-8-4-5-9-13(12)19(14(20)18(16)10-17)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea?
1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea has a molecular weight of 313.16 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chlorophenyl)-1-(fluoromethyl)-3-phenylurea is sourced from PubChem (CID 88614425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).