2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide

C15H20F2N2O3 — CID 166391046

IUPAC2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CCCC2)c(N)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-12-6-10(11(18)7-13(12)22-15(16)17)14(20)19-8-9-4-2-3-5-9/h6-7,9,15H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyFXXYJNXAJXFBHB-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.80
Rot. Bonds6

About 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide

2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide (PubChem CID 166391046) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide
PubChem CID166391046
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CCCC2)c(N)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-12-6-10(11(18)7-13(12)22-15(16)17)14(20)19-8-9-4-2-3-5-9/h6-7,9,15H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyFXXYJNXAJXFBHB-UHFFFAOYSA-N
XLogP2.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
N-[(3,3-difluorocyclopentyl)methyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide
CID 119037234
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide (CID 166391046) is 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide is COc1cc(C(=O)NCC2CCCC2)c(N)cc1OC(F)F.
What is the InChIKey of 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide?
The InChIKey is FXXYJNXAJXFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-21-12-6-10(11(18)7-13(12)22-15(16)17)14(20)19-8-9-4-2-3-5-9/h6-7,9,15H,2-5,8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide?
2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide has a molecular weight of 314.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide is sourced from PubChem (CID 166391046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).