N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide

C16H14ClFN2O2 — CID 2566406

IUPACN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O2/c17-13-10-12(6-7-14(13)18)20-15(21)8-9-19-16(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)(H,20,21)
InChIKeyVWSSSRVDHXKCQY-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide

N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide (PubChem CID 2566406) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide
PubChem CID2566406
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O2/c17-13-10-12(6-7-14(13)18)20-15(21)8-9-19-16(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)(H,20,21)
InChIKeyVWSSSRVDHXKCQY-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide (CID 2566406) is N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide?
The InChIKey is VWSSSRVDHXKCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-13-10-12(6-7-14(13)18)20-15(21)8-9-19-16(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide?
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide has a molecular weight of 320.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 2566406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).