N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide

C19H22FN3O2 — CID 56814248

IUPACN-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)N(C)C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O2/c1-13(16-7-9-17(20)10-8-16)23(3)19(25)21-12-15-5-4-6-18(11-15)22-14(2)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyKRINALGLDALTNB-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.69
Rot. Bonds5

About N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide

N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide (PubChem CID 56814248) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
PubChem CID56814248
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)N(C)C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O2/c1-13(16-7-9-17(20)10-8-16)23(3)19(25)21-12-15-5-4-6-18(11-15)22-14(2)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyKRINALGLDALTNB-UHFFFAOYSA-N
XLogP3.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55931117
N-[3-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111233234
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 124849312
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]phenyl]-2-methylbutanamide
CID 87005981
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
3-[(4-fluorophenyl)methyl]-1-methyl-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 51325866
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide (CID 56814248) is N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)N(C)C(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide?
The InChIKey is KRINALGLDALTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(16-7-9-17(20)10-8-16)23(3)19(25)21-12-15-5-4-6-18(11-15)22-14(2)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide?
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 56814248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).