3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide

C16H13Cl2FN2O2 — CID 34819338

IUPAC3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C16H13Cl2FN2O2/c17-13-5-4-11(9-14(13)18)16(23)21-7-6-20-15(22)10-2-1-3-12(19)8-10/h1-5,8-9H,6-7H2,(H,20,22)(H,21,23)
InChIKeyLVKGQZQCKLFZOX-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.29
Rot. Bonds5

About 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide

3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide (PubChem CID 34819338) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
PubChem CID34819338
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C16H13Cl2FN2O2/c17-13-5-4-11(9-14(13)18)16(23)21-7-6-20-15(22)10-2-1-3-12(19)8-10/h1-5,8-9H,6-7H2,(H,20,22)(H,21,23)
InChIKeyLVKGQZQCKLFZOX-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.29
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

3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide
CID 86975289
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide (CID 34819338) is 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide?
The InChIKey is LVKGQZQCKLFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c17-13-5-4-11(9-14(13)18)16(23)21-7-6-20-15(22)10-2-1-3-12(19)8-10/h1-5,8-9H,6-7H2,(H,20,22)(H,21,23).
What are the key properties of 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide has a molecular weight of 355.20 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 34819338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).