2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide

C17H12Cl2N2OS — CID 54774048

IUPAC2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N2OS/c18-13-5-6-14(15(19)9-13)16(22)21-10-11-1-3-12(4-2-11)17-20-7-8-23-17/h1-9H,10H2,(H,21,22)
InChIKeyLGCAFMOBEWONCD-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.05
Rot. Bonds4

About 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide

2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide (PubChem CID 54774048) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
PubChem CID54774048
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N2OS/c18-13-5-6-14(15(19)9-13)16(22)21-10-11-1-3-12(4-2-11)17-20-7-8-23-17/h1-9H,10H2,(H,21,22)
InChIKeyLGCAFMOBEWONCD-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
CID 108762330
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2,4-dichloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)benzamide
CID 110872179
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566
3-nitro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774047
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide (CID 54774048) is 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is LGCAFMOBEWONCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-13-5-6-14(15(19)9-13)16(22)21-10-11-1-3-12(4-2-11)17-20-7-8-23-17/h1-9H,10H2,(H,21,22).
What are the key properties of 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 363.27 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 54774048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).