2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

C15H13BrFN3O2 — CID 60605382

IUPAC2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrFN3O2/c16-10-1-5-13(6-2-10)20-15(22)18-9-14(21)19-12-7-3-11(17)4-8-12/h1-8H,9H2,(H,19,21)(H2,18,20,22)
InChIKeyYYGFZOCFFLOYDG-UHFFFAOYSA-N
MW366.19 g/mol
LogP3.35
Rot. Bonds4

About 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 60605382) has the molecular formula C15H13BrFN3O2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID60605382
Molecular FormulaC15H13BrFN3O2
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrFN3O2/c16-10-1-5-13(6-2-10)20-15(22)18-9-14(21)19-12-7-3-11(17)4-8-12/h1-8H,9H2,(H,19,21)(H2,18,20,22)
InChIKeyYYGFZOCFFLOYDG-UHFFFAOYSA-N
XLogP3.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-bromobenzoate
CID 2625840
2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49255504
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277736
N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide
CID 47323048
N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide
CID 47257817
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49280558
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021254

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 60605382) is 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is O=C(CNC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is YYGFZOCFFLOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O2/c16-10-1-5-13(6-2-10)20-15(22)18-9-14(21)19-12-7-3-11(17)4-8-12/h1-8H,9H2,(H,19,21)(H2,18,20,22).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 366.19 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 60605382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).