4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide

C18H18ClFN2O2 — CID 47049795

IUPAC4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-11(2)21-18(24)13-7-8-14(19)16(9-13)22-17(23)10-12-5-3-4-6-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUIKCTQYUILOKTN-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.80
Rot. Bonds5

About 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide

4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 47049795) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID47049795
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H18ClFN2O2/c1-11(2)21-18(24)13-7-8-14(19)16(9-13)22-17(23)10-12-5-3-4-6-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUIKCTQYUILOKTN-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 94141178
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
3-[5-(4-bromophenyl)pentanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55895332
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
CID 2090617
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide (CID 47049795) is 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is UIKCTQYUILOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11(2)21-18(24)13-7-8-14(19)16(9-13)22-17(23)10-12-5-3-4-6-15(12)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 348.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 47049795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).