N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide

C16H13ClF2N2O3 — CID 18096937

IUPACN-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H13ClF2N2O3/c1-9-2-3-10(17)6-12(9)21-15(22)8-20-11-4-5-13-14(7-11)24-16(18,19)23-13/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyYBZFVJAFGNQNDF-UHFFFAOYSA-N
MW354.74 g/mol
LogP4.02
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide (PubChem CID 18096937) has the molecular formula C16H13ClF2N2O3 and a molecular weight of 354.74 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
PubChem CID18096937
Molecular FormulaC16H13ClF2N2O3
Molecular Weight354.74 g/mol
Exact Mass354.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H13ClF2N2O3/c1-9-2-3-10(17)6-12(9)21-15(22)8-20-11-4-5-13-14(7-11)24-16(18,19)23-13/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyYBZFVJAFGNQNDF-UHFFFAOYSA-N
XLogP4.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096944
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 55412776
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 28577635
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide (CID 18096937) is N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
The InChIKey is YBZFVJAFGNQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3/c1-9-2-3-10(17)6-12(9)21-15(22)8-20-11-4-5-13-14(7-11)24-16(18,19)23-13/h2-7,20H,8H2,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide has a molecular weight of 354.74 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide is sourced from PubChem (CID 18096937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).