N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide

C13H18F2N2O — CID 43136631

IUPACN-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCN)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-9(2)17(7-3-6-16)13(18)11-8-10(14)4-5-12(11)15/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyCXHDDMGFTITWHH-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.16
Rot. Bonds5

About N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide

N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide (PubChem CID 43136631) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
PubChem CID43136631
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCN)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O/c1-9(2)17(7-3-6-16)13(18)11-8-10(14)4-5-12(11)15/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyCXHDDMGFTITWHH-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
CID 107016692
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104668867
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide (CID 43136631) is N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide is CC(C)N(CCCN)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide?
The InChIKey is CXHDDMGFTITWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(2)17(7-3-6-16)13(18)11-8-10(14)4-5-12(11)15/h4-5,8-9H,3,6-7,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide?
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 43136631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).