3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide

C18H19FN4O3 — CID 46585354

IUPAC3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN4O3/c1-20-17(25)13-3-2-4-15(9-13)23-16(24)11-22-18(26)21-10-12-5-7-14(19)8-6-12/h2-9H,10-11H2,1H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeyNKWCACKEIQQHLR-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.62
Rot. Bonds6

About 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide

3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide (PubChem CID 46585354) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
PubChem CID46585354
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN4O3/c1-20-17(25)13-3-2-4-15(9-13)23-16(24)11-22-18(26)21-10-12-5-7-14(19)8-6-12/h2-9H,10-11H2,1H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeyNKWCACKEIQQHLR-UHFFFAOYSA-N
XLogP1.62
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55599538
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
CID 24607672
tert-butyl N-[[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55932685

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide (CID 46585354) is 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide?
The InChIKey is NKWCACKEIQQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-20-17(25)13-3-2-4-15(9-13)23-16(24)11-22-18(26)21-10-12-5-7-14(19)8-6-12/h2-9H,10-11H2,1H3,(H,20,25)(H,23,24)(H2,21,22,26).
What are the key properties of 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide?
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide has a molecular weight of 358.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 46585354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).