N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide

C20H22F2N2O4 — CID 18752827

IUPACN-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(O)C(F)(F)C(=O)NC(C)C
InChIInChI=1S/C20H22F2N2O4/c1-12(2)23-19(27)20(21,22)17(25)13-8-4-6-10-15(13)24-18(26)14-9-5-7-11-16(14)28-3/h4-12,17,25H,1-3H3,(H,23,27)(H,24,26)
InChIKeyDSCKTDOMCKPRHO-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.14
Rot. Bonds7

About N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide

N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide (PubChem CID 18752827) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide
PubChem CID18752827
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(O)C(F)(F)C(=O)NC(C)C
InChIInChI=1S/C20H22F2N2O4/c1-12(2)23-19(27)20(21,22)17(25)13-8-4-6-10-15(13)24-18(26)14-9-5-7-11-16(14)28-3/h4-12,17,25H,1-3H3,(H,23,27)(H,24,26)
InChIKeyDSCKTDOMCKPRHO-UHFFFAOYSA-N
XLogP3.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
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CID 19167870
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide (CID 18752827) is N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1C(O)C(F)(F)C(=O)NC(C)C.
What is the InChIKey of N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide?
The InChIKey is DSCKTDOMCKPRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-12(2)23-19(27)20(21,22)17(25)13-8-4-6-10-15(13)24-18(26)14-9-5-7-11-16(14)28-3/h4-12,17,25H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide?
N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide has a molecular weight of 392.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,2-difluoro-1-hydroxy-3-oxo-3-(propan-2-ylamino)propyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 18752827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).