N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide

C22H19Cl2NO3S — CID 17014011

IUPACN-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(Cc1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H19Cl2NO3S/c23-17-9-8-16(21(24)12-17)13-25(18-10-11-29(27,28)14-18)22(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-9,12,18H,10-11,13-14H2
InChIKeyAKPUUTATSBHOJG-UHFFFAOYSA-N
MW448.37 g/mol
LogP4.98
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide (PubChem CID 17014011) has the molecular formula C22H19Cl2NO3S and a molecular weight of 448.37 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide
PubChem CID17014011
Molecular FormulaC22H19Cl2NO3S
Molecular Weight448.37 g/mol
Exact Mass447.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(Cc1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H19Cl2NO3S/c23-17-9-8-16(21(24)12-17)13-25(18-10-11-29(27,28)14-18)22(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-9,12,18H,10-11,13-14H2
InChIKeyAKPUUTATSBHOJG-UHFFFAOYSA-N
XLogP4.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 35125691
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 18879923
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(naphthalen-1-ylmethyl)benzamide
CID 40851294
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 40643577
4-tert-butyl-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 35128857
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)naphthalene-1-carboxamide
CID 3366243
2-(2-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 35128910
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 40851276
2-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 35128410
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 35125738
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
CID 18817930
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide (CID 17014011) is N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide is O=C(c1cccc2ccccc12)N(Cc1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide?
The InChIKey is AKPUUTATSBHOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3S/c23-17-9-8-16(21(24)12-17)13-25(18-10-11-29(27,28)14-18)22(26)20-7-3-5-15-4-1-2-6-19(15)20/h1-9,12,18H,10-11,13-14H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide has a molecular weight of 448.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 17014011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).