N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide

C18H18ClNOS2 — CID 9164695

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNOS2/c1-12(15-3-2-4-16(19)11-15)20-17(21)13-5-7-14(8-6-13)18-22-9-10-23-18/h2-8,11-12,18H,9-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyMOVOTXFXPAQZQX-GFCCVEGCSA-N
MW363.94 g/mol
LogP5.31
Rot. Bonds4

About N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 9164695) has the molecular formula C18H18ClNOS2 and a molecular weight of 363.94 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID9164695
Molecular FormulaC18H18ClNOS2
Molecular Weight363.94 g/mol
Exact Mass363.05
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNOS2/c1-12(15-3-2-4-16(19)11-15)20-17(21)13-5-7-14(8-6-13)18-22-9-10-23-18/h2-8,11-12,18H,9-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyMOVOTXFXPAQZQX-GFCCVEGCSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.94
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide (CID 9164695) is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide is C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is MOVOTXFXPAQZQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClNOS2/c1-12(15-3-2-4-16(19)11-15)20-17(21)13-5-7-14(8-6-13)18-22-9-10-23-18/h2-8,11-12,18H,9-10H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 363.94 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 9164695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).