N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide

C12H17FN2O2 — CID 55130619

IUPACN-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCCN)cc1F
InChIInChI=1S/C12H17FN2O2/c1-15(7-3-6-14)12(16)9-4-5-11(17-2)10(13)8-9/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyWZSOWXVIPHACNS-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.26
Rot. Bonds5

About N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide

N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 55130619) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
PubChem CID55130619
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCCN)cc1F
InChIInChI=1S/C12H17FN2O2/c1-15(7-3-6-14)12(16)9-4-5-11(17-2)10(13)8-9/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyWZSOWXVIPHACNS-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
N-(3-aminopropyl)-4-methoxy-N-methyl-3-nitrobenzamide
CID 81483289
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
CID 80980046
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide (CID 55130619) is N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCCN)cc1F.
What is the InChIKey of N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is WZSOWXVIPHACNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15(7-3-6-14)12(16)9-4-5-11(17-2)10(13)8-9/h4-5,8H,3,6-7,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide?
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 55130619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).