N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide

C14H21FN2O2 — CID 107206607

IUPACN-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CCCCCN)ccc1F
InChIInChI=1S/C14H21FN2O2/c1-17(9-5-3-4-8-16)14(18)11-6-7-12(15)13(10-11)19-2/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyWMGMRBAVOGETFU-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.04
Rot. Bonds7

About N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide

N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide (PubChem CID 107206607) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
PubChem CID107206607
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CCCCCN)ccc1F
InChIInChI=1S/C14H21FN2O2/c1-17(9-5-3-4-8-16)14(18)11-6-7-12(15)13(10-11)19-2/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyWMGMRBAVOGETFU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
CID 80980046
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
4-fluoro-3-methoxy-N-methyl-N-[4-[methyl-(2-pyrrol-1-ylbenzoyl)amino]butyl]benzamide
CID 154849064
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
N-(3-aminopropyl)-4-methoxy-N-methyl-3-nitrobenzamide
CID 81483289
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide?
The IUPAC name of N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide (CID 107206607) is N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CCCCCN)ccc1F.
What is the InChIKey of N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide?
The InChIKey is WMGMRBAVOGETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-17(9-5-3-4-8-16)14(18)11-6-7-12(15)13(10-11)19-2/h6-7,10H,3-5,8-9,16H2,1-2H3.
What are the key properties of N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide?
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide 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-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 107206607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).