2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

C17H16F2N2O2 — CID 108573742

IUPAC2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-3-2-4-12(9-11)16(22)20-7-8-21-17(23)14-6-5-13(18)10-15(14)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUGUANBNVZGZBAG-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.43
Rot. Bonds5

About 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (PubChem CID 108573742) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
PubChem CID108573742
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-3-2-4-12(9-11)16(22)20-7-8-21-17(23)14-6-5-13(18)10-15(14)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUGUANBNVZGZBAG-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.43
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

2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (CID 108573742) is 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The InChIKey is UGUANBNVZGZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-3-2-4-12(9-11)16(22)20-7-8-21-17(23)14-6-5-13(18)10-15(14)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108573742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).