2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide

C16H15F2N3O2 — CID 49285412

IUPAC2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C16H15F2N3O2/c1-19-15(22)13-8-12(6-7-14(13)18)21-16(23)20-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyYWVIKGJJBNMJMU-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.65
Rot. Bonds4

About 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide

2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide (PubChem CID 49285412) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
PubChem CID49285412
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C16H15F2N3O2/c1-19-15(22)13-8-12(6-7-14(13)18)21-16(23)20-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyYWVIKGJJBNMJMU-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
CID 100616994
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
2-fluoro-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61196451
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
5-(ethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065616
1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867663
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
CID 46585354
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide?
The IUPAC name of 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide (CID 49285412) is 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide is CNC(=O)c1cc(NC(=O)NCc2ccc(F)cc2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide?
The InChIKey is YWVIKGJJBNMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-19-15(22)13-8-12(6-7-14(13)18)21-16(23)20-9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide?
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide has a molecular weight of 319.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 49285412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).