N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

C22H19ClFN3O2S — CID 118935240

IUPACN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1ccccc1C(N)=O)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C22H19ClFN3O2S/c1-12-20(30-11-26-12)22(29)27(10-13-4-2-3-5-15(13)21(25)28)19-7-6-16-17(19)8-14(23)9-18(16)24/h2-5,8-9,11,19H,6-7,10H2,1H3,(H2,25,28)/t19-/m1/s1
InChIKeyILFDYKVIVSDWHQ-LJQANCHMSA-N
MW443.93 g/mol
LogP4.67
Rot. Bonds5

About N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118935240) has the molecular formula C22H19ClFN3O2S and a molecular weight of 443.93 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118935240
Molecular FormulaC22H19ClFN3O2S
Molecular Weight443.93 g/mol
Exact Mass443.09
IUPAC NameN-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1ccccc1C(N)=O)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C22H19ClFN3O2S/c1-12-20(30-11-26-12)22(29)27(10-13-4-2-3-5-15(13)21(25)28)19-7-6-16-17(19)8-14(23)9-18(16)24/h2-5,8-9,11,19H,6-7,10H2,1H3,(H2,25,28)/t19-/m1/s1
InChIKeyILFDYKVIVSDWHQ-LJQANCHMSA-N
XLogP4.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118936078
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935355
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-fluorothiophene-2-carboxamide
CID 118935311
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 118936149
2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide
CID 118935897
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935737
3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 118935802
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118935954
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
CID 144743655
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyridine-3-carboxamide
CID 144743692

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118935240) is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1ccccc1C(N)=O)[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ILFDYKVIVSDWHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19ClFN3O2S/c1-12-20(30-11-26-12)22(29)27(10-13-4-2-3-5-15(13)21(25)28)19-7-6-16-17(19)8-14(23)9-18(16)24/h2-5,8-9,11,19H,6-7,10H2,1H3,(H2,25,28)/t19-/m1/s1.
What are the key properties of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118935240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).