N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide

C17H15F3N2O2 — CID 33321847

IUPACN-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc(F)ccc2F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-10-2-3-11(8-15(10)20)16(23)21-6-7-22-17(24)13-9-12(18)4-5-14(13)19/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyQQBXXXDSPNWLHR-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide

N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 33321847) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID33321847
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc(F)ccc2F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-10-2-3-11(8-15(10)20)16(23)21-6-7-22-17(24)13-9-12(18)4-5-14(13)19/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyQQBXXXDSPNWLHR-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.57
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

3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
3-bromo-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2-hydroxy-5-methylbenzamide
CID 55939763
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108542898
3-fluoro-N-[2-[[(E)-3-(2-fluorophenyl)but-2-enoyl]amino]ethyl]-4-methylbenzamide
CID 97435173
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide (CID 33321847) is N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)c2cc(F)ccc2F)cc1F.
What is the InChIKey of N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is QQBXXXDSPNWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-2-3-11(8-15(10)20)16(23)21-6-7-22-17(24)13-9-12(18)4-5-14(13)19/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 336.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 33321847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).