butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate

C19H19F2NO4 — CID 7926949

IUPACbutyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C19H19F2NO4/c1-2-3-12-25-18(24)14-4-8-15(9-5-14)22-17(23)13-6-10-16(11-7-13)26-19(20)21/h4-11,19H,2-3,12H2,1H3,(H,22,23)
InChIKeyJECPJLRGGJNQSX-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.50
Rot. Bonds8

About butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate

butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate (PubChem CID 7926949) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
PubChem CID7926949
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Namebutyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C19H19F2NO4/c1-2-3-12-25-18(24)14-4-8-15(9-5-14)22-17(23)13-6-10-16(11-7-13)26-19(20)21/h4-11,19H,2-3,12H2,1H3,(H,22,23)
InChIKeyJECPJLRGGJNQSX-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
CID 46763449
3-methylbutyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170770
4-oxopentyl 4-(difluoromethoxy)benzoate
CID 78845641
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The IUPAC name of butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate (CID 7926949) is butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The canonical SMILES for butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
The InChIKey is JECPJLRGGJNQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-2-3-12-25-18(24)14-4-8-15(9-5-14)22-17(23)13-6-10-16(11-7-13)26-19(20)21/h4-11,19H,2-3,12H2,1H3,(H,22,23).
What are the key properties of butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate?
butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate has a molecular weight of 363.36 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 7926949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).