2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

C17H17BrFN3O3 — CID 49251171

IUPAC2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17BrFN3O3/c1-10-7-11(18)8-14(25-2)16(10)22-17(24)20-9-15(23)21-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyXQSOXOISPGNEAE-UHFFFAOYSA-N
MW410.24 g/mol
LogP3.67
Rot. Bonds5

About 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 49251171) has the molecular formula C17H17BrFN3O3 and a molecular weight of 410.24 g/mol. Its IUPAC name is 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID49251171
Molecular FormulaC17H17BrFN3O3
Molecular Weight410.24 g/mol
Exact Mass409.04
IUPAC Name2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17BrFN3O3/c1-10-7-11(18)8-14(25-2)16(10)22-17(24)20-9-15(23)21-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyXQSOXOISPGNEAE-UHFFFAOYSA-N
XLogP3.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 49251171) is 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is COc1cc(Br)cc(C)c1NC(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is XQSOXOISPGNEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O3/c1-10-7-11(18)8-14(25-2)16(10)22-17(24)20-9-15(23)21-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 410.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methoxy-6-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 49251171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).