2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide

C17H13Cl2F3N2O2 — CID 2490950

IUPAC2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13Cl2F3N2O2/c18-13-4-2-1-3-11(13)16(26)23-8-7-15(25)24-10-5-6-14(19)12(9-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,26)(H,24,25)
InChIKeyNQUBEAMJNATSIE-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.77
Rot. Bonds5

About 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide

2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide (PubChem CID 2490950) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
PubChem CID2490950
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC Name2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13Cl2F3N2O2/c18-13-4-2-1-3-11(13)16(26)23-8-7-15(25)24-10-5-6-14(19)12(9-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,26)(H,24,25)
InChIKeyNQUBEAMJNATSIE-UHFFFAOYSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide (CID 2490950) is 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is NQUBEAMJNATSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c18-13-4-2-1-3-11(13)16(26)23-8-7-15(25)24-10-5-6-14(19)12(9-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 405.20 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2490950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).