N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide

C16H14F2N2O2 — CID 146866561

IUPACN-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)c2c(F)ccc(N)c2F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-9(21)20-11-4-2-10(3-5-11)8-14(22)15-12(17)6-7-13(19)16(15)18/h2-7H,8,19H2,1H3,(H,20,21)
InChIKeySMECVBXNCGRSMX-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.93
Rot. Bonds4

About N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide

N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide (PubChem CID 146866561) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide
PubChem CID146866561
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)c2c(F)ccc(N)c2F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-9(21)20-11-4-2-10(3-5-11)8-14(22)15-12(17)6-7-13(19)16(15)18/h2-7H,8,19H2,1H3,(H,20,21)
InChIKeySMECVBXNCGRSMX-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
4-[2-(4-acetamidophenyl)acetyl]-N-[4-(2-oxopropyl)phenyl]benzamide
CID 160995920

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide (CID 146866561) is N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)c2c(F)ccc(N)c2F)cc1.
What is the InChIKey of N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide?
The InChIKey is SMECVBXNCGRSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-9(21)20-11-4-2-10(3-5-11)8-14(22)15-12(17)6-7-13(19)16(15)18/h2-7H,8,19H2,1H3,(H,20,21).
What are the key properties of N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide?
N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide has a molecular weight of 304.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 146866561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).