N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide

C14H21FN2O2 — CID 102885358

IUPACN-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
SMILESCCCCN(CCN)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-4-8-17(9-7-16)14(18)12-6-5-11(19-2)10-13(12)15/h5-6,10H,3-4,7-9,16H2,1-2H3
InChIKeyKEEIIIQNECPTAB-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.04
Rot. Bonds7

About N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide

N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide (PubChem CID 102885358) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
PubChem CID102885358
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
SMILESCCCCN(CCN)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-4-8-17(9-7-16)14(18)12-6-5-11(19-2)10-13(12)15/h5-6,10H,3-4,7-9,16H2,1-2H3
InChIKeyKEEIIIQNECPTAB-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
CID 63754246

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide (CID 102885358) is N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide is CCCCN(CCN)C(=O)c1ccc(OC)cc1F.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide?
The InChIKey is KEEIIIQNECPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-4-8-17(9-7-16)14(18)12-6-5-11(19-2)10-13(12)15/h5-6,10H,3-4,7-9,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide?
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide has a molecular weight of 268.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102885358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).