N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide

C20H20F4N2O4 — CID 166210614

IUPACN-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide
SMILESCOc1c(F)ccc(F)c1C(=O)NC(C)C(C)NC(=O)c1c(F)ccc(F)c1OC
InChIInChI=1S/C20H20F4N2O4/c1-9(25-19(27)15-11(21)5-7-13(23)17(15)29-3)10(2)26-20(28)16-12(22)6-8-14(24)18(16)30-4/h5-10H,1-4H3,(H,25,27)(H,26,28)
InChIKeyAAMNTMXYIIKJTI-UHFFFAOYSA-N
MW428.38 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide

N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide (PubChem CID 166210614) has the molecular formula C20H20F4N2O4 and a molecular weight of 428.38 g/mol. Its IUPAC name is N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide
PubChem CID166210614
Molecular FormulaC20H20F4N2O4
Molecular Weight428.38 g/mol
Exact Mass428.14
IUPAC NameN-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide
SMILESCOc1c(F)ccc(F)c1C(=O)NC(C)C(C)NC(=O)c1c(F)ccc(F)c1OC
InChIInChI=1S/C20H20F4N2O4/c1-9(25-19(27)15-11(21)5-7-13(23)17(15)29-3)10(2)26-20(28)16-12(22)6-8-14(24)18(16)30-4/h5-10H,1-4H3,(H,25,27)(H,26,28)
InChIKeyAAMNTMXYIIKJTI-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide with MolForge

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Related Compounds

(2S)-2-[(3,6-difluoro-2-methoxybenzoyl)amino]propanoic acid
CID 119943315
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
7-[(3,6-difluoro-2-methoxybenzoyl)amino]heptanoic acid
CID 119350764
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]-trihydroxyboranuide
CID 53301829
methyl 2-[(3-amino-2,6-difluorobenzoyl)amino]-3-methylbutanoate
CID 79773150
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
CID 10999433
2,6-difluoro-N-(3-methylpentan-2-yl)-3-nitrobenzamide
CID 103740622

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide?
The IUPAC name of N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide (CID 166210614) is N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide.
What is the SMILES notation for N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide?
The canonical SMILES for N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide is COc1c(F)ccc(F)c1C(=O)NC(C)C(C)NC(=O)c1c(F)ccc(F)c1OC.
What is the InChIKey of N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide?
The InChIKey is AAMNTMXYIIKJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O4/c1-9(25-19(27)15-11(21)5-7-13(23)17(15)29-3)10(2)26-20(28)16-12(22)6-8-14(24)18(16)30-4/h5-10H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide?
N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide has a molecular weight of 428.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,6-difluoro-2-methoxybenzoyl)amino]butan-2-yl]-3,6-difluoro-2-methoxybenzamide is sourced from PubChem (CID 166210614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).