1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea

C16H14F3N3O3 — CID 5140613

IUPAC1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3/c1-25-11-8-6-10(7-9-11)14(23)21-22-15(24)20-13-5-3-2-4-12(13)16(17,18)19/h2-9H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyGQOBBQTUSHOJAV-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.18
Rot. Bonds3

About 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea

1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 5140613) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID5140613
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3/c1-25-11-8-6-10(7-9-11)14(23)21-22-15(24)20-13-5-3-2-4-12(13)16(17,18)19/h2-9H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyGQOBBQTUSHOJAV-UHFFFAOYSA-N
XLogP3.18
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]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-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1242400
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[2-(trifluoromethyl)anilino]propanoate
CID 4103970

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea (CID 5140613) is 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea is COc1ccc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is GQOBBQTUSHOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-25-11-8-6-10(7-9-11)14(23)21-22-15(24)20-13-5-3-2-4-12(13)16(17,18)19/h2-9H,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 353.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 5140613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).