2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide

C20H25FN4O2 — CID 72933670

IUPAC2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide
SMILESCc1cc(CNC(=O)Nc2cccc(NC(=O)CN(C)C)c2C)ccc1F
InChIInChI=1S/C20H25FN4O2/c1-13-10-15(8-9-16(13)21)11-22-20(27)24-18-7-5-6-17(14(18)2)23-19(26)12-25(3)4/h5-10H,11-12H2,1-4H3,(H,23,26)(H2,22,24,27)
InChIKeyCGAHKZBAQRSVKG-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.26
Rot. Bonds6

About 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide

2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide (PubChem CID 72933670) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide
PubChem CID72933670
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide
SMILESCc1cc(CNC(=O)Nc2cccc(NC(=O)CN(C)C)c2C)ccc1F
InChIInChI=1S/C20H25FN4O2/c1-13-10-15(8-9-16(13)21)11-22-20(27)24-18-7-5-6-17(14(18)2)23-19(26)12-25(3)4/h5-10H,11-12H2,1-4H3,(H,23,26)(H2,22,24,27)
InChIKeyCGAHKZBAQRSVKG-UHFFFAOYSA-N
XLogP3.26
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29451919
1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
2-(dimethylamino)-N-[2-methyl-3-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]acetamide
CID 72916440
N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
CID 86993800
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
CID 168521728
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
2-(dimethylamino)-N-[3-[[(4-ethoxy-3-fluorophenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 86895610

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide (CID 72933670) is 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide is Cc1cc(CNC(=O)Nc2cccc(NC(=O)CN(C)C)c2C)ccc1F.
What is the InChIKey of 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide?
The InChIKey is CGAHKZBAQRSVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13-10-15(8-9-16(13)21)11-22-20(27)24-18-7-5-6-17(14(18)2)23-19(26)12-25(3)4/h5-10H,11-12H2,1-4H3,(H,23,26)(H2,22,24,27).
What are the key properties of 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide?
2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 72933670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).