3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide

C14H18FN3O3 — CID 76978535

IUPAC3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1F
InChIInChI=1S/C14H18FN3O3/c1-21-12-6-5-8(7-10(12)15)14(19)17-11-4-2-3-9(11)13(16)18-20/h5-7,9,11,20H,2-4H2,1H3,(H2,16,18)(H,17,19)
InChIKeyOEFSAHMDHBWMNW-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.48
Rot. Bonds4

About 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide

3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide (PubChem CID 76978535) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
PubChem CID76978535
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1F
InChIInChI=1S/C14H18FN3O3/c1-21-12-6-5-8(7-10(12)15)14(19)17-11-4-2-3-9(11)13(16)18-20/h5-7,9,11,20H,2-4H2,1H3,(H2,16,18)(H,17,19)
InChIKeyOEFSAHMDHBWMNW-UHFFFAOYSA-N
XLogP1.48
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978571
4-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978395
2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]cyclooctane-1-carboxylic acid
CID 120688810
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide (CID 76978535) is 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCC2C(N)=NO)cc1F.
What is the InChIKey of 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide?
The InChIKey is OEFSAHMDHBWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-21-12-6-5-8(7-10(12)15)14(19)17-11-4-2-3-9(11)13(16)18-20/h5-7,9,11,20H,2-4H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide?
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide has a molecular weight of 295.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide is sourced from PubChem (CID 76978535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).