N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide

C28H23FN2O2 — CID 6234774

IUPACN-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C28H23FN2O2/c1-2-31(26-9-5-7-21-6-3-4-8-25(21)26)28(33)22-13-17-24(18-14-22)30-27(32)19-12-20-10-15-23(29)16-11-20/h3-19H,2H2,1H3,(H,30,32)/b19-12+
InChIKeyWMPVPAHOXUHPST-XDHOZWIPSA-N
MW438.50 g/mol
LogP6.30
Rot. Bonds6

About N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide

N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide (PubChem CID 6234774) has the molecular formula C28H23FN2O2 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
PubChem CID6234774
Molecular FormulaC28H23FN2O2
Molecular Weight438.50 g/mol
Exact Mass438.17
IUPAC NameN-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C28H23FN2O2/c1-2-31(26-9-5-7-21-6-3-4-8-25(21)26)28(33)22-13-17-24(18-14-22)30-27(32)19-12-20-10-15-23(29)16-11-20/h3-19H,2H2,1H3,(H,30,32)/b19-12+
InChIKeyWMPVPAHOXUHPST-XDHOZWIPSA-N
XLogP6.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
CID 4940910
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 26168850
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 4940775
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 6234760
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
N-ethyl-4-[[2-(2-methylphenyl)acetyl]amino]-N-naphthalen-1-ylbenzamide
CID 26169011
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide?
The IUPAC name of N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide (CID 6234774) is N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide?
The InChIKey is WMPVPAHOXUHPST-XDHOZWIPSA-N. The full InChI is InChI=1S/C28H23FN2O2/c1-2-31(26-9-5-7-21-6-3-4-8-25(21)26)28(33)22-13-17-24(18-14-22)30-27(32)19-12-20-10-15-23(29)16-11-20/h3-19H,2H2,1H3,(H,30,32)/b19-12+.
What are the key properties of N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide?
N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide has a molecular weight of 438.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 6234774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).