N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C16H18ClFN2OS — CID 18191654

IUPACN-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCc1ccsc1CN(C)C(C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H18ClFN2OS/c1-10-6-7-22-15(10)9-20(3)11(2)16(21)19-14-5-4-12(18)8-13(14)17/h4-8,11H,9H2,1-3H3,(H,19,21)
InChIKeyNFJILLSAWTUMQJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.31
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 18191654) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
PubChem CID18191654
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCc1ccsc1CN(C)C(C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H18ClFN2OS/c1-10-6-7-22-15(10)9-20(3)11(2)16(21)19-14-5-4-12(18)8-13(14)17/h4-8,11H,9H2,1-3H3,(H,19,21)
InChIKeyNFJILLSAWTUMQJ-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 18191654) is N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is Cc1ccsc1CN(C)C(C)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The InChIKey is NFJILLSAWTUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2OS/c1-10-6-7-22-15(10)9-20(3)11(2)16(21)19-14-5-4-12(18)8-13(14)17/h4-8,11H,9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 340.85 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 18191654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).