N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide

C15H13ClFNO2S — CID 107037030

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H13ClFNO2S/c1-20-14-4-2-3-12(16)11(14)8-18-15(19)10-7-9(21)5-6-13(10)17/h2-7,21H,8H2,1H3,(H,18,19)
InChIKeyRHHPWDWSXXWWLV-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.71
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide

N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide (PubChem CID 107037030) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
PubChem CID107037030
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H13ClFNO2S/c1-20-14-4-2-3-12(16)11(14)8-18-15(19)10-7-9(21)5-6-13(10)17/h2-7,21H,8H2,1H3,(H,18,19)
InChIKeyRHHPWDWSXXWWLV-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide
CID 87006791
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
CID 107953670
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 103293346
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide (CID 107037030) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide is COc1cccc(Cl)c1CNC(=O)c1cc(S)ccc1F.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
The InChIKey is RHHPWDWSXXWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c1-20-14-4-2-3-12(16)11(14)8-18-15(19)10-7-9(21)5-6-13(10)17/h2-7,21H,8H2,1H3,(H,18,19).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide has a molecular weight of 325.79 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107037030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).