N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide

C14H20F2N2O2 — CID 119499066

IUPACN-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCCC(C)N)cc(C)c1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-8-6-11(13(19)18-5-4-10(3)17)7-9(2)12(8)20-14(15)16/h6-7,10,14H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyREEJFUCJZFQEPI-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.37
Rot. Bonds6

About N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide

N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide (PubChem CID 119499066) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
PubChem CID119499066
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCCC(C)N)cc(C)c1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-8-6-11(13(19)18-5-4-10(3)17)7-9(2)12(8)20-14(15)16/h6-7,10,14H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyREEJFUCJZFQEPI-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
2-[2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241468
N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
CID 119499716
3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249228
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide?
The IUPAC name of N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide (CID 119499066) is N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide is Cc1cc(C(=O)NCCC(C)N)cc(C)c1OC(F)F.
What is the InChIKey of N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide?
The InChIKey is REEJFUCJZFQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-8-6-11(13(19)18-5-4-10(3)17)7-9(2)12(8)20-14(15)16/h6-7,10,14H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide?
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide has a molecular weight of 286.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 119499066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).