methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate

C24H22FNO3 — CID 66976762

IUPACmethyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate
SMILESCCc1c(C(=O)OC)ccc(NC(=O)c2ccc(Cc3ccccc3)cc2)c1F
InChIInChI=1S/C24H22FNO3/c1-3-19-20(24(28)29-2)13-14-21(22(19)25)26-23(27)18-11-9-17(10-12-18)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKeyBDLXSFAIJPEGHE-UHFFFAOYSA-N
MW391.44 g/mol
LogP5.02
Rot. Bonds6

About methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate

methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate (PubChem CID 66976762) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate
PubChem CID66976762
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Namemethyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate
SMILESCCc1c(C(=O)OC)ccc(NC(=O)c2ccc(Cc3ccccc3)cc2)c1F
InChIInChI=1S/C24H22FNO3/c1-3-19-20(24(28)29-2)13-14-21(22(19)25)26-23(27)18-11-9-17(10-12-18)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKeyBDLXSFAIJPEGHE-UHFFFAOYSA-N
XLogP5.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157198
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
4-benzyl-N-ethylbenzamide
CID 134120069
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753
methyl 2-[[4-(cyanomethyl)benzoyl]amino]benzoate
CID 82179452
methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate
CID 174534965
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
CID 172557349
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
2-benzamido-5-[(4-benzamido-3-carboxyphenyl)methyl]benzoic acid
CID 2261273
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate?
The IUPAC name of methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate (CID 66976762) is methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate.
What is the SMILES notation for methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate?
The canonical SMILES for methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate is CCc1c(C(=O)OC)ccc(NC(=O)c2ccc(Cc3ccccc3)cc2)c1F.
What is the InChIKey of methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate?
The InChIKey is BDLXSFAIJPEGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-3-19-20(24(28)29-2)13-14-21(22(19)25)26-23(27)18-11-9-17(10-12-18)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,26,27).
What are the key properties of methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate?
methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate has a molecular weight of 391.44 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-benzylbenzoyl)amino]-2-ethyl-3-fluorobenzoate is sourced from PubChem (CID 66976762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).