N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide

C18H17F2N3O3 — CID 108571301

IUPACN-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3O3/c19-13-6-7-14(15(20)10-13)18(26)22-9-8-21-16(24)11-23-17(25)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyCAUJQZQHQQLZFS-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.24
Rot. Bonds7

About N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide

N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide (PubChem CID 108571301) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
PubChem CID108571301
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3O3/c19-13-6-7-14(15(20)10-13)18(26)22-9-8-21-16(24)11-23-17(25)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyCAUJQZQHQQLZFS-UHFFFAOYSA-N
XLogP1.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 55869846
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
N-[2-[(2-benzamidoacetyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108539253
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 42103921

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide (CID 108571301) is N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide is O=C(CNC(=O)c1ccccc1)NCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide?
The InChIKey is CAUJQZQHQQLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-13-6-7-14(15(20)10-13)18(26)22-9-8-21-16(24)11-23-17(25)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide?
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide has a molecular weight of 361.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 108571301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).