2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide

C19H19ClN2OS — CID 2363409

IUPAC2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide
SMILESC[C@@H]1CN=C(N(CCc2ccccc2)C(=O)c2ccccc2Cl)S1
InChIInChI=1S/C19H19ClN2OS/c1-14-13-21-19(24-14)22(12-11-15-7-3-2-4-8-15)18(23)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3/t14-/m1/s1
InChIKeyARSZQBZPHCCRNB-CQSZACIVSA-N
MW358.89 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide

2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide (PubChem CID 2363409) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide
PubChem CID2363409
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide
SMILESC[C@@H]1CN=C(N(CCc2ccccc2)C(=O)c2ccccc2Cl)S1
InChIInChI=1S/C19H19ClN2OS/c1-14-13-21-19(24-14)22(12-11-15-7-3-2-4-8-15)18(23)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3/t14-/m1/s1
InChIKeyARSZQBZPHCCRNB-CQSZACIVSA-N
XLogP4.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902231
N-tert-butyl-2-chloro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4291964
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
CID 115267700
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62823161
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide (CID 2363409) is 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide is C[C@@H]1CN=C(N(CCc2ccccc2)C(=O)c2ccccc2Cl)S1.
What is the InChIKey of 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is ARSZQBZPHCCRNB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-14-13-21-19(24-14)22(12-11-15-7-3-2-4-8-15)18(23)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide?
2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 358.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 2363409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).