3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

C26H27FN2O3 — CID 55724377

IUPAC3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(OC(C)C)c2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C26H27FN2O3/c1-16(2)32-21-9-7-8-19(14-21)18(4)28-25(30)20-13-12-17(3)24(15-20)29-26(31)22-10-5-6-11-23(22)27/h5-16,18H,1-4H3,(H,28,30)(H,29,31)
InChIKeyQZPKCBHGWQIKIF-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.66
Rot. Bonds7

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 55724377) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID55724377
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(OC(C)C)c2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C26H27FN2O3/c1-16(2)32-21-9-7-8-19(14-21)18(4)28-25(30)20-13-12-17(3)24(15-20)29-26(31)22-10-5-6-11-23(22)27/h5-16,18H,1-4H3,(H,28,30)(H,29,31)
InChIKeyQZPKCBHGWQIKIF-UHFFFAOYSA-N
XLogP5.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
CID 55909018
ethyl 3-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoate
CID 60590432
3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
CID 55687173
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methyl-3-[[2-(2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 172655626
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (CID 55724377) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2cccc(OC(C)C)c2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is QZPKCBHGWQIKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-16(2)32-21-9-7-8-19(14-21)18(4)28-25(30)20-13-12-17(3)24(15-20)29-26(31)22-10-5-6-11-23(22)27/h5-16,18H,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 434.51 g/mol, XLogP of 5.66, 7 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-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55724377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).