3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide

C18H17ClFNO3S — CID 40643549

IUPAC3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17ClFNO3S/c19-15-5-2-4-14(10-15)18(22)21(17-7-8-25(23,24)12-17)11-13-3-1-6-16(20)9-13/h1-6,9-10,17H,7-8,11-12H2/t17-/m0/s1
InChIKeyRZHFHZBLUORLRY-KRWDZBQOSA-N
MW381.86 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 40643549) has the molecular formula C18H17ClFNO3S and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID40643549
Molecular FormulaC18H17ClFNO3S
Molecular Weight381.86 g/mol
Exact Mass381.06
IUPAC Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17ClFNO3S/c19-15-5-2-4-14(10-15)18(22)21(17-7-8-25(23,24)12-17)11-13-3-1-6-16(20)9-13/h1-6,9-10,17H,7-8,11-12H2/t17-/m0/s1
InChIKeyRZHFHZBLUORLRY-KRWDZBQOSA-N
XLogP3.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 40643489
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505
3-chloro-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3708910
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 35125691
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 40871148
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
CID 3834147
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-4-propan-2-yloxybenzamide
CID 40643532
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 40643491
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-4-propoxybenzamide
CID 40643528
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)benzamide
CID 18573583
N-[(3-bromophenyl)methyl]-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 41003695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide (CID 40643549) is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide is O=C(c1cccc(Cl)c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is RZHFHZBLUORLRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClFNO3S/c19-15-5-2-4-14(10-15)18(22)21(17-7-8-25(23,24)12-17)11-13-3-1-6-16(20)9-13/h1-6,9-10,17H,7-8,11-12H2/t17-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide?
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 381.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 40643549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).