2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide

C14H13BrFN3O2S — CID 49255504

IUPAC2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)NCc1cc(Br)cs1)Nc1ccc(F)cc1
InChIInChI=1S/C14H13BrFN3O2S/c15-9-5-12(22-8-9)6-17-14(21)18-7-13(20)19-11-3-1-10(16)2-4-11/h1-5,8H,6-7H2,(H,19,20)(H2,17,18,21)
InChIKeyMUUQNSVUVRZGBT-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.09
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide

2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 49255504) has the molecular formula C14H13BrFN3O2S and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID49255504
Molecular FormulaC14H13BrFN3O2S
Molecular Weight386.25 g/mol
Exact Mass384.99
IUPAC Name2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CNC(=O)NCc1cc(Br)cs1)Nc1ccc(F)cc1
InChIInChI=1S/C14H13BrFN3O2S/c15-9-5-12(22-8-9)6-17-14(21)18-7-13(20)19-11-3-1-10(16)2-4-11/h1-5,8H,6-7H2,(H,19,20)(H2,17,18,21)
InChIKeyMUUQNSVUVRZGBT-UHFFFAOYSA-N
XLogP3.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
1-[(4-bromothiophen-2-yl)methyl]-3-(4-cyanophenyl)urea
CID 47253654
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
CID 18276908
N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
CID 49255186
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
1-[(4-bromothiophen-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 110894395

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide (CID 49255504) is 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide is O=C(CNC(=O)NCc1cc(Br)cs1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is MUUQNSVUVRZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2S/c15-9-5-12(22-8-9)6-17-14(21)18-7-13(20)19-11-3-1-10(16)2-4-11/h1-5,8H,6-7H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 49255504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).