N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide

C13H15F2N3O2 — CID 63184835

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCC(=O)NC2CC2)cc1F
InChIInChI=1S/C13H15F2N3O2/c1-16-12-9(14)4-7(5-10(12)15)13(20)17-6-11(19)18-8-2-3-8/h4-5,8,16H,2-3,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyBCELLLOIPYHXOK-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 63184835) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
PubChem CID63184835
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCC(=O)NC2CC2)cc1F
InChIInChI=1S/C13H15F2N3O2/c1-16-12-9(14)4-7(5-10(12)15)13(20)17-6-11(19)18-8-2-3-8/h4-5,8,16H,2-3,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyBCELLLOIPYHXOK-UHFFFAOYSA-N
XLogP1.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
CID 110625264
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide (CID 63184835) is N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NCC(=O)NC2CC2)cc1F.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is BCELLLOIPYHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-16-12-9(14)4-7(5-10(12)15)13(20)17-6-11(19)18-8-2-3-8/h4-5,8,16H,2-3,6H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 283.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 63184835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).