N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide

C12H16F2N2O — CID 54991847

IUPACN-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
SMILESCC(CN)CN(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-8(6-15)7-16(2)12(17)10-5-9(13)3-4-11(10)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyMXBKNYHLZYEKDU-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.63
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide

N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide (PubChem CID 54991847) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
PubChem CID54991847
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
SMILESCC(CN)CN(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-8(6-15)7-16(2)12(17)10-5-9(13)3-4-11(10)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyMXBKNYHLZYEKDU-UHFFFAOYSA-N
XLogP1.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
1-(3-amino-2-methylpropyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 54992200
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
CID 115272485
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide (CID 54991847) is N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide is CC(CN)CN(C)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide?
The InChIKey is MXBKNYHLZYEKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(6-15)7-16(2)12(17)10-5-9(13)3-4-11(10)14/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide?
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 54991847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).