4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide

C17H16ClFN2O2 — CID 2094426

IUPAC4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H16ClFN2O2/c1-11-2-7-14(10-15(11)19)21-16(22)8-9-20-17(23)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKWXXITUSPHAKBR-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.55
Rot. Bonds5

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

4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide (PubChem CID 2094426) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
PubChem CID2094426
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H16ClFN2O2/c1-11-2-7-14(10-15(11)19)21-16(22)8-9-20-17(23)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKWXXITUSPHAKBR-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide (CID 2094426) is 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide is Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is KWXXITUSPHAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-11-2-7-14(10-15(11)19)21-16(22)8-9-20-17(23)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide has a molecular weight of 334.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 2094426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).