2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide

C19H21F2N3O2 — CID 86828516

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccccc1F)NC(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O2/c1-13(10-15-4-2-3-5-17(15)21)24-18(25)12-23-19(26)22-11-14-6-8-16(20)9-7-14/h2-9,13H,10-12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyOLXOYIYLGDQKFY-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.51
Rot. Bonds7

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide (PubChem CID 86828516) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
PubChem CID86828516
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccccc1F)NC(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O2/c1-13(10-15-4-2-3-5-17(15)21)24-18(25)12-23-19(26)22-11-14-6-8-16(20)9-7-14/h2-9,13H,10-12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyOLXOYIYLGDQKFY-UHFFFAOYSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
CID 55978653
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
1-[(4-fluorophenyl)methyl]-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552596
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55599538
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
CID 97087860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide (CID 86828516) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide is CC(Cc1ccccc1F)NC(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide?
The InChIKey is OLXOYIYLGDQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-13(10-15-4-2-3-5-17(15)21)24-18(25)12-23-19(26)22-11-14-6-8-16(20)9-7-14/h2-9,13H,10-12H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 361.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 86828516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).