N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide

C17H16ClFN2O2 — CID 108574697

IUPACN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-14-6-4-12(5-7-14)10-16(22)20-8-9-21-17(23)13-2-1-3-15(19)11-13/h1-7,11H,8-10H2,(H,20,22)(H,21,23)
InChIKeyRGSZBZSRUGSFLV-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.57
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide (PubChem CID 108574697) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
PubChem CID108574697
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-14-6-4-12(5-7-14)10-16(22)20-8-9-21-17(23)13-2-1-3-15(19)11-13/h1-7,11H,8-10H2,(H,20,22)(H,21,23)
InChIKeyRGSZBZSRUGSFLV-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
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

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide (CID 108574697) is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide is O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide?
The InChIKey is RGSZBZSRUGSFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-14-6-4-12(5-7-14)10-16(22)20-8-9-21-17(23)13-2-1-3-15(19)11-13/h1-7,11H,8-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide?
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide has a molecular weight of 334.78 g/mol, XLogP of 2.57, 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-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 108574697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).