N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide

C19H25F3N2O2 — CID 87132456

IUPACN-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide
SMILESCCCC(CCC)NC(=O)c1cccc(/C=C/CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H25F3N2O2/c1-3-7-16(8-4-2)24-17(25)15-11-5-9-14(13-15)10-6-12-23-18(26)19(20,21)22/h5-6,9-11,13,16H,3-4,7-8,12H2,1-2H3,(H,23,26)(H,24,25)/b10-6+
InChIKeySCQLNHKSVFJRKX-UXBLZVDNSA-N
MW370.42 g/mol
LogP4.08
Rot. Bonds9

About N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide

N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide (PubChem CID 87132456) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide
PubChem CID87132456
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide
SMILESCCCC(CCC)NC(=O)c1cccc(/C=C/CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H25F3N2O2/c1-3-7-16(8-4-2)24-17(25)15-11-5-9-14(13-15)10-6-12-23-18(26)19(20,21)22/h5-6,9-11,13,16H,3-4,7-8,12H2,1-2H3,(H,23,26)(H,24,25)/b10-6+
InChIKeySCQLNHKSVFJRKX-UXBLZVDNSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide?
The IUPAC name of N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide (CID 87132456) is N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide?
The canonical SMILES for N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide is CCCC(CCC)NC(=O)c1cccc(/C=C/CNC(=O)C(F)(F)F)c1.
What is the InChIKey of N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide?
The InChIKey is SCQLNHKSVFJRKX-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-3-7-16(8-4-2)24-17(25)15-11-5-9-14(13-15)10-6-12-23-18(26)19(20,21)22/h5-6,9-11,13,16H,3-4,7-8,12H2,1-2H3,(H,23,26)(H,24,25)/b10-6+.
What are the key properties of N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide?
N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 87132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).