N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide

C18H19FN2O2 — CID 108538687

IUPACN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O2/c1-13-3-2-4-15(11-13)18(23)21-10-9-20-17(22)12-14-5-7-16(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKROZPCPREWHUFR-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide (PubChem CID 108538687) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
PubChem CID108538687
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O2/c1-13-3-2-4-15(11-13)18(23)21-10-9-20-17(22)12-14-5-7-16(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKROZPCPREWHUFR-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide (CID 108538687) is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide?
The InChIKey is KROZPCPREWHUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-3-2-4-15(11-13)18(23)21-10-9-20-17(22)12-14-5-7-16(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide?
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 108538687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).