N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide

C18H17FN2O2 — CID 175156198

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2/c1-3-17(22)21-16-10-6-14(7-11-16)18(23)20-12(2)13-4-8-15(19)9-5-13/h3-12H,1H2,2H3,(H,20,23)(H,21,22)
InChIKeyAZKGUJQPKHVMNK-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide

N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide (PubChem CID 175156198) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
PubChem CID175156198
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2/c1-3-17(22)21-16-10-6-14(7-11-16)18(23)20-12(2)13-4-8-15(19)9-5-13/h3-12H,1H2,2H3,(H,20,23)(H,21,22)
InChIKeyAZKGUJQPKHVMNK-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.44
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

4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 24617681
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide
CID 166405776
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide (CID 175156198) is N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide?
The InChIKey is AZKGUJQPKHVMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-17(22)21-16-10-6-14(7-11-16)18(23)20-12(2)13-4-8-15(19)9-5-13/h3-12H,1H2,2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide?
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 175156198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).