3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide

C14H18F2N2O3 — CID 86796421

IUPAC3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOCC(C)(C)NC(=O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O3/c1-14(2,8-21-3)18-12(19)7-17-13(20)9-4-5-10(15)11(16)6-9/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyBAOFBYQHBCGNCS-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.24
Rot. Bonds6

About 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide

3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 86796421) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID86796421
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOCC(C)(C)NC(=O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O3/c1-14(2,8-21-3)18-12(19)7-17-13(20)9-4-5-10(15)11(16)6-9/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyBAOFBYQHBCGNCS-UHFFFAOYSA-N
XLogP1.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
CID 86796428
tert-butyl N-[1-[(3,4-difluorobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668981
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112689546
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
methyl (3R)-3-[[2-[(3,4-difluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 52505542
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
N-(4-chloro-2,2-dimethylbutyl)-3,4-difluorobenzamide
CID 114149366
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide (CID 86796421) is 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide is COCC(C)(C)NC(=O)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is BAOFBYQHBCGNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-14(2,8-21-3)18-12(19)7-17-13(20)9-4-5-10(15)11(16)6-9/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 300.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[(1-methoxy-2-methylpropan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86796421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).