(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide

C16H10ClF3N2O3 — CID 18809032

IUPAC(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10ClF3N2O3/c17-14-7-2-11(16(18,19)20)9-10(14)1-8-15(23)21-12-3-5-13(6-4-12)22(24)25/h1-9H,(H,21,23)/b8-1+
InChIKeyMZNUCORJFBTOBZ-UNXLUWIOSA-N
MW370.71 g/mol
LogP4.92
Rot. Bonds4

About (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide

(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 18809032) has the molecular formula C16H10ClF3N2O3 and a molecular weight of 370.71 g/mol. Its IUPAC name is (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide
PubChem CID18809032
Molecular FormulaC16H10ClF3N2O3
Molecular Weight370.71 g/mol
Exact Mass370.03
IUPAC Name(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10ClF3N2O3/c17-14-7-2-11(16(18,19)20)9-10(14)1-8-15(23)21-12-3-5-13(6-4-12)22(24)25/h1-9H,(H,21,23)/b8-1+
InChIKeyMZNUCORJFBTOBZ-UNXLUWIOSA-N
XLogP4.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-iodophenyl)prop-2-enamide
CID 18809046
N-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2887493
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
4-[[(Z)-3-(2-chloro-4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
CID 98516512
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 76884317
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 33257278
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 75982125
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-nitrophenyl)methyl]prop-2-enamide
CID 55798750
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide (CID 18809032) is (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is MZNUCORJFBTOBZ-UNXLUWIOSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3/c17-14-7-2-11(16(18,19)20)9-10(14)1-8-15(23)21-12-3-5-13(6-4-12)22(24)25/h1-9H,(H,21,23)/b8-1+.
What are the key properties of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide?
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide has a molecular weight of 370.71 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 18809032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).