2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

C23H20ClFN2O2 — CID 118296500

IUPAC2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1ccc(F)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H20ClFN2O2/c1-15-11-12-17(25)14-20(15)26-23(29)21(13-16-7-3-2-4-8-16)27-22(28)18-9-5-6-10-19(18)24/h2-12,14,21H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyUPHSIYAJZDPHEH-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.77
Rot. Bonds6

About 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 118296500) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID118296500
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1ccc(F)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H20ClFN2O2/c1-15-11-12-17(25)14-20(15)26-23(29)21(13-16-7-3-2-4-8-16)27-22(28)18-9-5-6-10-19(18)24/h2-12,14,21H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyUPHSIYAJZDPHEH-UHFFFAOYSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 46797658
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
N-[1-(5-fluoro-2-methylanilino)-1-oxo-4-phenylbutan-2-yl]thiophene-2-carboxamide;molecular hydrogen
CID 144900959
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 92645922
2-bromo-N-[1-(5-fluoro-2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 134062578
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
CID 42725617
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42663211
N-[(2R)-1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 93101440
N-[1-[2-(3,5-dimethylpiperazin-1-yl)-5-fluoroanilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide
CID 118296383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 118296500) is 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1ccc(F)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is UPHSIYAJZDPHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-15-11-12-17(25)14-20(15)26-23(29)21(13-16-7-3-2-4-8-16)27-22(28)18-9-5-6-10-19(18)24/h2-12,14,21H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 410.88 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 118296500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).