4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride

C14H20ClFN2O2 — CID 120590455

IUPAC4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CC1c1cccc(F)c1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-19-11(8-16)6-14(18)17-13-7-12(13)9-3-2-4-10(15)5-9;/h2-5,11-13H,6-8,16H2,1H3,(H,17,18);1H
InChIKeyYSQXTVLSFPDJEP-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.58
Rot. Bonds6

About 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120590455) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
PubChem CID120590455
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CC1c1cccc(F)c1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-19-11(8-16)6-14(18)17-13-7-12(13)9-3-2-4-10(15)5-9;/h2-5,11-13H,6-8,16H2,1H3,(H,17,18);1H
InChIKeyYSQXTVLSFPDJEP-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
2-[3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-3-oxopropyl]benzoic acid
CID 120613723
4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride (CID 120590455) is 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC1CC1c1cccc(F)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is YSQXTVLSFPDJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c1-19-11(8-16)6-14(18)17-13-7-12(13)9-3-2-4-10(15)5-9;/h2-5,11-13H,6-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120590455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).