N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide

C20H21FN2O2 — CID 43013684

IUPACN-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)13-10-15-8-11-16(21)12-9-15/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b13-10+
InChIKeyLPYWMBQZQIGTME-JLHYYAGUSA-N
MW340.40 g/mol
LogP4.01
Rot. Bonds6

About N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide

N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 43013684) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID43013684
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)13-10-15-8-11-16(21)12-9-15/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b13-10+
InChIKeyLPYWMBQZQIGTME-JLHYYAGUSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 26706277
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 26254416
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 26253532
(E)-4-[2-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17151177
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 40715780
ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]benzoate
CID 724690
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
CID 4941568
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide (CID 43013684) is N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is LPYWMBQZQIGTME-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)13-10-15-8-11-16(21)12-9-15/h4-14H,3H2,1-2H3,(H,22,25)(H,23,24)/b13-10+.
What are the key properties of N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide?
N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 340.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 43013684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).