N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide

C18H20ClFN2O — CID 119527099

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H20ClFN2O/c1-11(2)12-6-8-13(9-7-12)16(21)10-22-18(23)17-14(19)4-3-5-15(17)20/h3-9,11,16H,10,21H2,1-2H3,(H,22,23)
InChIKeySHWBHESYUBBQCK-UHFFFAOYSA-N
MW334.82 g/mol
LogP4.03
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide (PubChem CID 119527099) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
PubChem CID119527099
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H20ClFN2O/c1-11(2)12-6-8-13(9-7-12)16(21)10-22-18(23)17-14(19)4-3-5-15(17)20/h3-9,11,16H,10,21H2,1-2H3,(H,22,23)
InChIKeySHWBHESYUBBQCK-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide (CID 119527099) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide is CC(C)c1ccc(C(N)CNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is SHWBHESYUBBQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-11(2)12-6-8-13(9-7-12)16(21)10-22-18(23)17-14(19)4-3-5-15(17)20/h3-9,11,16H,10,21H2,1-2H3,(H,22,23).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 334.82 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 119527099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).