3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide

C14H18FN3O2 — CID 119614425

IUPAC3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(CN)C2CC2)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-8(19)17-12-6-10(4-5-11(12)15)14(20)18-13(7-16)9-2-3-9/h4-6,9,13H,2-3,7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyBFUIOVHQIGQLRJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.25
Rot. Bonds5

About 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide

3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide (PubChem CID 119614425) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
PubChem CID119614425
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NC(CN)C2CC2)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-8(19)17-12-6-10(4-5-11(12)15)14(20)18-13(7-16)9-2-3-9/h4-6,9,13H,2-3,7,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyBFUIOVHQIGQLRJ-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
3-acetamido-N-[cyclopentyl-(4-fluorophenyl)methyl]-4-fluorobenzamide
CID 60573918
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
CID 119589312
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
CID 119589329
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide (CID 119614425) is 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide is CC(=O)Nc1cc(C(=O)NC(CN)C2CC2)ccc1F.
What is the InChIKey of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide?
The InChIKey is BFUIOVHQIGQLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(19)17-12-6-10(4-5-11(12)15)14(20)18-13(7-16)9-2-3-9/h4-6,9,13H,2-3,7,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide?
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide is sourced from PubChem (CID 119614425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).