2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate

C19H17ClFNO3 — CID 130352486

IUPAC2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C19H17ClFNO3/c1-12(2)19(24)25-10-9-22-17-8-7-13(20)11-15(17)18(23)14-5-3-4-6-16(14)21/h3-8,11,22H,1,9-10H2,2H3
InChIKeyDSNHFMUSPVEKCN-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.24
Rot. Bonds7

About 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate

2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate (PubChem CID 130352486) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate
PubChem CID130352486
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC Name2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C19H17ClFNO3/c1-12(2)19(24)25-10-9-22-17-8-7-13(20)11-15(17)18(23)14-5-3-4-6-16(14)21/h3-8,11,22H,1,9-10H2,2H3
InChIKeyDSNHFMUSPVEKCN-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230
1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-3-phenylthiourea
CID 4120115
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
2-[2-(4-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103247399
2-(2-carbonochloridoylanilino)ethyl acetate
CID 87983968
tert-butyl N-[(2R)-1-[4-chloro-2-(2-fluorobenzoyl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 139414113
2-[2-(2-chlorobenzoyl)-4-nitroanilino]ethyl 2,3-dimethylbutanoate
CID 130356545
2-(4-nitroanilino)ethyl 2-methylprop-2-enoate
CID 57224509
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 67947834
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
methyl 2-[2-(2,5-dichlorophenoxy)ethylamino]benzoate
CID 18802372

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate (CID 130352486) is 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNc1ccc(Cl)cc1C(=O)c1ccccc1F.
What is the InChIKey of 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate?
The InChIKey is DSNHFMUSPVEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c1-12(2)19(24)25-10-9-22-17-8-7-13(20)11-15(17)18(23)14-5-3-4-6-16(14)21/h3-8,11,22H,1,9-10H2,2H3.
What are the key properties of 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate?
2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate has a molecular weight of 361.80 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-fluorobenzoyl)anilino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 130352486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).