(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide

C18H19FN2O2 — CID 94760146

IUPAC(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C18H19FN2O2/c1-21(2)18(22)10-6-13-5-9-17(16(20)11-13)23-12-14-3-7-15(19)8-4-14/h3-11H,12,20H2,1-2H3/b10-6-
InChIKeyBLQKTNKVGVDTFA-POHAHGRESA-N
MW314.36 g/mol
LogP3.09
Rot. Bonds5

About (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide

(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide (PubChem CID 94760146) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide
PubChem CID94760146
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C18H19FN2O2/c1-21(2)18(22)10-6-13-5-9-17(16(20)11-13)23-12-14-3-7-15(19)8-4-14/h3-11H,12,20H2,1-2H3/b10-6-
InChIKeyBLQKTNKVGVDTFA-POHAHGRESA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 82152628
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684714
(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide
CID 82153069
3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 900841
3-amino-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780
(E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684716
prop-2-enyl (E)-3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate
CID 91685630
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide (CID 94760146) is (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(N)c1.
What is the InChIKey of (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide?
The InChIKey is BLQKTNKVGVDTFA-POHAHGRESA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-21(2)18(22)10-6-13-5-9-17(16(20)11-13)23-12-14-3-7-15(19)8-4-14/h3-11H,12,20H2,1-2H3/b10-6-.
What are the key properties of (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide?
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide has a molecular weight of 314.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 94760146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).