3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide

C19H21F2N3O4 — CID 55565701

IUPAC3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC(F)F
InChIInChI=1S/C19H21F2N3O4/c1-24(2)18(26)12-5-4-6-14(9-12)23-17(25)11-22-13-7-8-15(27-3)16(10-13)28-19(20)21/h4-10,19,22H,11H2,1-3H3,(H,23,25)
InChIKeyVCYDUPAAPZMQIU-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.05
Rot. Bonds8

About 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55565701) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID55565701
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC Name3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC(F)F
InChIInChI=1S/C19H21F2N3O4/c1-24(2)18(26)12-5-4-6-14(9-12)23-17(25)11-22-13-7-8-15(27-3)16(10-13)28-19(20)21/h4-10,19,22H,11H2,1-3H3,(H,23,25)
InChIKeyVCYDUPAAPZMQIU-UHFFFAOYSA-N
XLogP3.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 31418500
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 25332759
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide (CID 55565701) is 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide is COc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC(F)F.
What is the InChIKey of 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VCYDUPAAPZMQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c1-24(2)18(26)12-5-4-6-14(9-12)23-17(25)11-22-13-7-8-15(27-3)16(10-13)28-19(20)21/h4-10,19,22H,11H2,1-3H3,(H,23,25).
What are the key properties of 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 393.39 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55565701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).