2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide

C19H21FN4O3 — CID 86923315

IUPAC2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN4O3/c1-21-17(25)10-13-4-8-16(9-5-13)24-18(26)12-23-19(27)22-11-14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3,(H,21,25)(H,24,26)(H2,22,23,27)
InChIKeyNANJFEUNXVCLFY-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.55
Rot. Bonds7

About 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide

2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide (PubChem CID 86923315) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
PubChem CID86923315
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN4O3/c1-21-17(25)10-13-4-8-16(9-5-13)24-18(26)12-23-19(27)22-11-14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3,(H,21,25)(H,24,26)(H2,22,23,27)
InChIKeyNANJFEUNXVCLFY-UHFFFAOYSA-N
XLogP1.55
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]acetyl]amino]acetate
CID 55964096
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
CID 18276908
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
CID 46585354
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638119
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide (CID 86923315) is 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide?
The InChIKey is NANJFEUNXVCLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-21-17(25)10-13-4-8-16(9-5-13)24-18(26)12-23-19(27)22-11-14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3,(H,21,25)(H,24,26)(H2,22,23,27).
What are the key properties of 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide?
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide has a molecular weight of 372.40 g/mol, XLogP of 1.55, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 86923315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).