4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide

C17H16F3N3O3 — CID 51118537

IUPAC4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H16F3N3O3/c1-26-11-4-2-10(3-5-11)16(24)21-8-9-22-17(25)23-13-7-6-12(18)14(19)15(13)20/h2-7H,8-9H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyXWTUIKYOWRASCP-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.66
Rot. Bonds6

About 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide

4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide (PubChem CID 51118537) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
PubChem CID51118537
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H16F3N3O3/c1-26-11-4-2-10(3-5-11)16(24)21-8-9-22-17(25)23-13-7-6-12(18)14(19)15(13)20/h2-7H,8-9H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyXWTUIKYOWRASCP-UHFFFAOYSA-N
XLogP2.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide (CID 51118537) is 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is XWTUIKYOWRASCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-26-11-4-2-10(3-5-11)16(24)21-8-9-22-17(25)23-13-7-6-12(18)14(19)15(13)20/h2-7H,8-9H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide?
4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 367.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 51118537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).