N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide

C17H14ClF3N2O3 — CID 108998853

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14ClF3N2O3/c18-12-3-2-11(17(19,20)21)6-13(12)22-8-16(24)23-7-10-1-4-14-15(5-10)26-9-25-14/h1-6,22H,7-9H2,(H,23,24)
InChIKeyHXQCQXWNLXJADX-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.82
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide (PubChem CID 108998853) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
PubChem CID108998853
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14ClF3N2O3/c18-12-3-2-11(17(19,20)21)6-13(12)22-8-16(24)23-7-10-1-4-14-15(5-10)26-9-25-14/h1-6,22H,7-9H2,(H,23,24)
InChIKeyHXQCQXWNLXJADX-UHFFFAOYSA-N
XLogP3.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylanilino)acetamide
CID 108998839
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
CID 108998869
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 4965222
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1297414
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2085866
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 109021116

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide (CID 108998853) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide is O=C(CNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is HXQCQXWNLXJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c18-12-3-2-11(17(19,20)21)6-13(12)22-8-16(24)23-7-10-1-4-14-15(5-10)26-9-25-14/h1-6,22H,7-9H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 386.76 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 108998853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).