(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide

C20H22FNO — CID 133217649

IUPAC(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
SMILESCc1cc(C)c(C(C)NC(=O)/C=C/c2ccc(F)cc2)cc1C
InChIInChI=1S/C20H22FNO/c1-13-11-15(3)19(12-14(13)2)16(4)22-20(23)10-7-17-5-8-18(21)9-6-17/h5-12,16H,1-4H3,(H,22,23)/b10-7+
InChIKeyNUSOBCKZOHKQEU-JXMROGBWSA-N
MW311.40 g/mol
LogP4.64
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide (PubChem CID 133217649) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
PubChem CID133217649
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
SMILESCc1cc(C)c(C(C)NC(=O)/C=C/c2ccc(F)cc2)cc1C
InChIInChI=1S/C20H22FNO/c1-13-11-15(3)19(12-14(13)2)16(4)22-20(23)10-7-17-5-8-18(21)9-6-17/h5-12,16H,1-4H3,(H,22,23)/b10-7+
InChIKeyNUSOBCKZOHKQEU-JXMROGBWSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906876
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 42907058
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
(E)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
(E)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 133186119
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843392
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide (CID 133217649) is (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide is Cc1cc(C)c(C(C)NC(=O)/C=C/c2ccc(F)cc2)cc1C.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
The InChIKey is NUSOBCKZOHKQEU-JXMROGBWSA-N. The full InChI is InChI=1S/C20H22FNO/c1-13-11-15(3)19(12-14(13)2)16(4)22-20(23)10-7-17-5-8-18(21)9-6-17/h5-12,16H,1-4H3,(H,22,23)/b10-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide has a molecular weight of 311.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 133217649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).