N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C14H14ClFN2OS — CID 9054347

IUPACN-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccsc1
InChIInChI=1S/C14H14ClFN2OS/c1-18(7-10-4-5-20-9-10)8-14(19)17-11-2-3-13(16)12(15)6-11/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyCHHVLEKZSYBIKT-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.61
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 9054347) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID9054347
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccsc1
InChIInChI=1S/C14H14ClFN2OS/c1-18(7-10-4-5-20-9-10)8-14(19)17-11-2-3-13(16)12(15)6-11/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyCHHVLEKZSYBIKT-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
CID 34598248
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]acetamide
CID 9054891
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 9054347) is N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccsc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is CHHVLEKZSYBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c1-18(7-10-4-5-20-9-10)8-14(19)17-11-2-3-13(16)12(15)6-11/h2-6,9H,7-8H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 312.80 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 9054347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).