(2,3,4-trichlorophenyl)methylurea

C8H7Cl3N2O — CID 90771605

IUPAC(2,3,4-trichlorophenyl)methylurea
SMILESNC(=O)NCc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H7Cl3N2O/c9-5-2-1-4(3-13-8(12)14)6(10)7(5)11/h1-2H,3H2,(H3,12,13,14)
InChIKeyZOIWFDXTBXAOTP-UHFFFAOYSA-N
MW253.52 g/mol
LogP2.82
Rot. Bonds2

About (2,3,4-trichlorophenyl)methylurea

(2,3,4-trichlorophenyl)methylurea (PubChem CID 90771605) has the molecular formula C8H7Cl3N2O and a molecular weight of 253.52 g/mol. Its IUPAC name is (2,3,4-trichlorophenyl)methylurea.

Molecular Properties

Compound Name(2,3,4-trichlorophenyl)methylurea
PubChem CID90771605
Molecular FormulaC8H7Cl3N2O
Molecular Weight253.52 g/mol
Exact Mass251.96
IUPAC Name(2,3,4-trichlorophenyl)methylurea
SMILESNC(=O)NCc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H7Cl3N2O/c9-5-2-1-4(3-13-8(12)14)6(10)7(5)11/h1-2H,3H2,(H3,12,13,14)
InChIKeyZOIWFDXTBXAOTP-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-2-methylphenyl)methylurea
CID 118069885
methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
[2-(aminomethyl)phenyl]methylurea
CID 62949906
2-[(2-chloro-3-fluorophenyl)methylamino]ethylurea
CID 112652234
3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
CID 148837488
1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
CID 175144459
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
2-(2,3,4-trichlorophenyl)ethanamine
CID 23356568
(2S)-2-amino-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide
CID 57022701
2,6-dichloro-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid
CID 86658673
2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]benzoic acid
CID 58483267

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trichlorophenyl)methylurea?
The IUPAC name of (2,3,4-trichlorophenyl)methylurea (CID 90771605) is (2,3,4-trichlorophenyl)methylurea.
What is the SMILES notation for (2,3,4-trichlorophenyl)methylurea?
The canonical SMILES for (2,3,4-trichlorophenyl)methylurea is NC(=O)NCc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of (2,3,4-trichlorophenyl)methylurea?
The InChIKey is ZOIWFDXTBXAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O/c9-5-2-1-4(3-13-8(12)14)6(10)7(5)11/h1-2H,3H2,(H3,12,13,14).
What are the key properties of (2,3,4-trichlorophenyl)methylurea?
(2,3,4-trichlorophenyl)methylurea has a molecular weight of 253.52 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trichlorophenyl)methylurea is sourced from PubChem (CID 90771605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).