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

C16H11ClF2N2O4 — CID 26954210

IUPAC2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H11ClF2N2O4/c17-11-4-2-1-3-10(11)15(23)20-8-14(22)21-9-5-6-12-13(7-9)25-16(18,19)24-12/h1-7H,8H2,(H,20,23)(H,21,22)
InChIKeySDDKOYWDEYTCBC-UHFFFAOYSA-N
MW368.72 g/mol
LogP3.03
Rot. Bonds4

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

2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide (PubChem CID 26954210) has the molecular formula C16H11ClF2N2O4 and a molecular weight of 368.72 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
PubChem CID26954210
Molecular FormulaC16H11ClF2N2O4
Molecular Weight368.72 g/mol
Exact Mass368.04
IUPAC Name2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H11ClF2N2O4/c17-11-4-2-1-3-10(11)15(23)20-8-14(22)21-9-5-6-12-13(7-9)25-16(18,19)24-12/h1-7H,8H2,(H,20,23)(H,21,22)
InChIKeySDDKOYWDEYTCBC-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484674
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096944
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 7751375
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363779
2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2461345
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] benzoate
CID 7868398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide (CID 26954210) is 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is SDDKOYWDEYTCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O4/c17-11-4-2-1-3-10(11)15(23)20-8-14(22)21-9-5-6-12-13(7-9)25-16(18,19)24-12/h1-7H,8H2,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 368.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 26954210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).