(Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide

C17H15ClF3N2O2P — CID 143230571

IUPAC(Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide
SMILESCOP(/C(=C\C(N)=O)c1cc(Cl)ccc1N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3N2O2P/c1-25-26(12-4-2-3-10(7-12)17(19,20)21)15(9-16(23)24)13-8-11(18)5-6-14(13)22/h2-9H,22H2,1H3,(H2,23,24)/b15-9-
InChIKeySJLFHSDSZVRZCQ-DHDCSXOGSA-N
MW402.74 g/mol
LogP4.14
Rot. Bonds5

About (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide

(Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide (PubChem CID 143230571) has the molecular formula C17H15ClF3N2O2P and a molecular weight of 402.74 g/mol. Its IUPAC name is (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide
PubChem CID143230571
Molecular FormulaC17H15ClF3N2O2P
Molecular Weight402.74 g/mol
Exact Mass402.05
IUPAC Name(Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide
SMILESCOP(/C(=C\C(N)=O)c1cc(Cl)ccc1N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3N2O2P/c1-25-26(12-4-2-3-10(7-12)17(19,20)21)15(9-16(23)24)13-8-11(18)5-6-14(13)22/h2-9H,22H2,1H3,(H2,23,24)/b15-9-
InChIKeySJLFHSDSZVRZCQ-DHDCSXOGSA-N
XLogP4.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.74
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide?
The IUPAC name of (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide (CID 143230571) is (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide is COP(/C(=C\C(N)=O)c1cc(Cl)ccc1N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide?
The InChIKey is SJLFHSDSZVRZCQ-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H15ClF3N2O2P/c1-25-26(12-4-2-3-10(7-12)17(19,20)21)15(9-16(23)24)13-8-11(18)5-6-14(13)22/h2-9H,22H2,1H3,(H2,23,24)/b15-9-.
What are the key properties of (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide?
(Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide has a molecular weight of 402.74 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-amino-5-chlorophenyl)-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphanyl]prop-2-enamide is sourced from PubChem (CID 143230571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).