N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide

C22H20FN3O2 — CID 60564656

IUPACN-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C22H20FN3O2/c1-16(27)24-21-14-18(12-13-20(21)23)22(28)25-26(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyBTYXGLZQWJHFMB-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.14
Rot. Bonds6

About N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide

N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide (PubChem CID 60564656) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide
PubChem CID60564656
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C22H20FN3O2/c1-16(27)24-21-14-18(12-13-20(21)23)22(28)25-26(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyBTYXGLZQWJHFMB-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide
CID 75479031
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CID 60567345
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
N'-benzyl-N'-phenylpyridine-3-carbohydrazide
CID 51156325
N'-benzyl-3-methyl-N'-phenylthiophene-2-carbohydrazide
CID 39477042
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide
CID 51188956
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
4-[(N-benzylanilino)carbamoyl]-N-prop-2-ynylbenzenesulfonamide
CID 39476642

Frequently Asked Questions

What is the IUPAC name of N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide (CID 60564656) is N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)ccc1F.
What is the InChIKey of N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide?
The InChIKey is BTYXGLZQWJHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-16(27)24-21-14-18(12-13-20(21)23)22(28)25-26(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide?
N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide has a molecular weight of 377.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 60564656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).