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

C23H20ClFN2O2 — CID 46797658

IUPAC2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H20ClFN2O2/c1-15-11-12-17(25)13-20(15)26-22(28)14-21(16-7-3-2-4-8-16)27-23(29)18-9-5-6-10-19(18)24/h2-13,21H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyMMNAHBNWKJAGFT-UHFFFAOYSA-N
MW410.88 g/mol
LogP5.29
Rot. Bonds6

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

2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 46797658) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID46797658
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H20ClFN2O2/c1-15-11-12-17(25)13-20(15)26-22(28)14-21(16-7-3-2-4-8-16)27-23(29)18-9-5-6-10-19(18)24/h2-13,21H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyMMNAHBNWKJAGFT-UHFFFAOYSA-N
XLogP5.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 60540296
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
2-chloro-N-[3-[2-(2-methylphenoxy)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55907565
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide (CID 46797658) is 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide is Cc1ccc(F)cc1NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is MMNAHBNWKJAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-15-11-12-17(25)13-20(15)26-22(28)14-21(16-7-3-2-4-8-16)27-23(29)18-9-5-6-10-19(18)24/h2-13,21H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 410.88 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 46797658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).