N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide

C16H10Cl2F4N2O2 — CID 14879197

IUPACN-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C16H10Cl2F4N2O2/c1-23(10-6-7(17)13(21)12(18)14(10)22)16(26)24(2)15(25)11-8(19)4-3-5-9(11)20/h3-6H,1-2H3
InChIKeyDXZUOYASSVYEDY-UHFFFAOYSA-N
MW409.17 g/mol
LogP4.88
Rot. Bonds2

About N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide

N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide (PubChem CID 14879197) has the molecular formula C16H10Cl2F4N2O2 and a molecular weight of 409.17 g/mol. Its IUPAC name is N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
PubChem CID14879197
Molecular FormulaC16H10Cl2F4N2O2
Molecular Weight409.17 g/mol
Exact Mass408.01
IUPAC NameN-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C16H10Cl2F4N2O2/c1-23(10-6-7(17)13(21)12(18)14(10)22)16(26)24(2)15(25)11-8(19)4-3-5-9(11)20/h3-6H,1-2H3
InChIKeyDXZUOYASSVYEDY-UHFFFAOYSA-N
XLogP4.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.17
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 68936278
2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide
CID 68935799
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
The IUPAC name of N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide (CID 14879197) is N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide is CN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1cc(Cl)c(F)c(Cl)c1F.
What is the InChIKey of N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
The InChIKey is DXZUOYASSVYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F4N2O2/c1-23(10-6-7(17)13(21)12(18)14(10)22)16(26)24(2)15(25)11-8(19)4-3-5-9(11)20/h3-6H,1-2H3.
What are the key properties of N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide?
N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide has a molecular weight of 409.17 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 14879197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).