3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide

C29H25FN2O3 — CID 60591826

IUPAC3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C29H25FN2O3/c1-20-15-16-22(19-26(20)32-29(34)24-12-5-7-13-25(24)30)28(33)31-17-18-35-27-14-8-6-11-23(27)21-9-3-2-4-10-21/h2-16,19H,17-18H2,1H3,(H,31,33)(H,32,34)
InChIKeyHGHUUIPOMRLJOJ-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.86
Rot. Bonds8

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide (PubChem CID 60591826) has the molecular formula C29H25FN2O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
PubChem CID60591826
Molecular FormulaC29H25FN2O3
Molecular Weight468.53 g/mol
Exact Mass468.18
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C29H25FN2O3/c1-20-15-16-22(19-26(20)32-29(34)24-12-5-7-13-25(24)30)28(33)31-17-18-35-27-14-8-6-11-23(27)21-9-3-2-4-10-21/h2-16,19H,17-18H2,1H3,(H,31,33)(H,32,34)
InChIKeyHGHUUIPOMRLJOJ-UHFFFAOYSA-N
XLogP5.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39294946
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
CID 55909018
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687960

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide (CID 60591826) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide is Cc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide?
The InChIKey is HGHUUIPOMRLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O3/c1-20-15-16-22(19-26(20)32-29(34)24-12-5-7-13-25(24)30)28(33)31-17-18-35-27-14-8-6-11-23(27)21-9-3-2-4-10-21/h2-16,19H,17-18H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide?
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide has a molecular weight of 468.53 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide is sourced from PubChem (CID 60591826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).