4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide

C14H19FN2O2 — CID 134395527

IUPAC4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide
SMILESCO[C@H](c1ccc(C(=O)NC2CC2)cc1)[C@H](N)CF
InChIInChI=1S/C14H19FN2O2/c1-19-13(12(16)8-15)9-2-4-10(5-3-9)14(18)17-11-6-7-11/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyMCNWNUYWACUCHM-CHWSQXEVSA-N
MW266.32 g/mol
LogP1.56
Rot. Bonds6

About 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide (PubChem CID 134395527) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide
PubChem CID134395527
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide
SMILESCO[C@H](c1ccc(C(=O)NC2CC2)cc1)[C@H](N)CF
InChIInChI=1S/C14H19FN2O2/c1-19-13(12(16)8-15)9-2-4-10(5-3-9)14(18)17-11-6-7-11/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyMCNWNUYWACUCHM-CHWSQXEVSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
CID 63698290
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
CID 143724454
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
CID 77090043
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide (CID 134395527) is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide is CO[C@H](c1ccc(C(=O)NC2CC2)cc1)[C@H](N)CF.
What is the InChIKey of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide?
The InChIKey is MCNWNUYWACUCHM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13(12(16)8-15)9-2-4-10(5-3-9)14(18)17-11-6-7-11/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide?
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 134395527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).