2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide

C17H16ClFN2O3 — CID 47068143

IUPAC2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCOc2ccccc2F)cc1Cl
InChIInChI=1S/C17H16ClFN2O3/c18-13-10-11(7-8-12(13)17(20)23)21-16(22)6-3-9-24-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9H2,(H2,20,23)(H,21,22)
InChIKeyDMQRXJPOTAUWKX-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.38
Rot. Bonds7

About 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide

2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide (PubChem CID 47068143) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
PubChem CID47068143
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCOc2ccccc2F)cc1Cl
InChIInChI=1S/C17H16ClFN2O3/c18-13-10-11(7-8-12(13)17(20)23)21-16(22)6-3-9-24-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9H2,(H2,20,23)(H,21,22)
InChIKeyDMQRXJPOTAUWKX-UHFFFAOYSA-N
XLogP3.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 120605051
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
CID 62834524
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide?
The IUPAC name of 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide (CID 47068143) is 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide?
The canonical SMILES for 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCCOc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide?
The InChIKey is DMQRXJPOTAUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c18-13-10-11(7-8-12(13)17(20)23)21-16(22)6-3-9-24-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9H2,(H2,20,23)(H,21,22).
What are the key properties of 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide?
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide has a molecular weight of 350.78 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide is sourced from PubChem (CID 47068143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).