N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide

C15H15Cl2FN2OS — CID 24589255

IUPACN-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2FN2OS/c1-20(9-11-3-5-14(17)22-11)7-6-15(21)19-13-4-2-10(16)8-12(13)18/h2-5,8H,6-7,9H2,1H3,(H,19,21)
InChIKeySBDHXNJBBNIIPF-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.65
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide

N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide (PubChem CID 24589255) has the molecular formula C15H15Cl2FN2OS and a molecular weight of 361.27 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
PubChem CID24589255
Molecular FormulaC15H15Cl2FN2OS
Molecular Weight361.27 g/mol
Exact Mass360.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2FN2OS/c1-20(9-11-3-5-14(17)22-11)7-6-15(21)19-13-4-2-10(16)8-12(13)18/h2-5,8H,6-7,9H2,1H3,(H,19,21)
InChIKeySBDHXNJBBNIIPF-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 24589254
N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 24589161
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638871
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
N-(4-chloro-2-fluorophenyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 17487361

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide (CID 24589255) is N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide is CN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(Cl)s1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The InChIKey is SBDHXNJBBNIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2OS/c1-20(9-11-3-5-14(17)22-11)7-6-15(21)19-13-4-2-10(16)8-12(13)18/h2-5,8H,6-7,9H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide has a molecular weight of 361.27 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 24589255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).