N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide

C14H18F2N2O2 — CID 43136734

IUPACN-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
SMILESNCCCN(C(=O)c1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-2-10(3-7-12)13(19)18(9-1-8-17)11-4-5-11/h2-3,6-7,11,14H,1,4-5,8-9,17H2
InChIKeyBCPHPCAHTYIJCH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.24
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide

N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide (PubChem CID 43136734) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
PubChem CID43136734
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
SMILESNCCCN(C(=O)c1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-2-10(3-7-12)13(19)18(9-1-8-17)11-4-5-11/h2-3,6-7,11,14H,1,4-5,8-9,17H2
InChIKeyBCPHPCAHTYIJCH-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
CID 43136724
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547
N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 63394289
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
CID 43607904
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide (CID 43136734) is N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide is NCCCN(C(=O)c1ccc(OC(F)F)cc1)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide?
The InChIKey is BCPHPCAHTYIJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-2-10(3-7-12)13(19)18(9-1-8-17)11-4-5-11/h2-3,6-7,11,14H,1,4-5,8-9,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide?
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 43136734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).