3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride

C16H18ClFN2O — CID 163408539

IUPAC3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O.ClH/c17-15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-19-16(20)7-8-18;/h1-6,9-10H,7-8,11,18H2,(H,19,20);1H
InChIKeyNQRGIPMCOAFQKS-UHFFFAOYSA-N
MW308.78 g/mol
LogP2.88
Rot. Bonds5

About 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride

3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 163408539) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID163408539
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O.ClH/c17-15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-19-16(20)7-8-18;/h1-6,9-10H,7-8,11,18H2,(H,19,20);1H
InChIKeyNQRGIPMCOAFQKS-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119279529
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4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
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4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
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3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408497
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide
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3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
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CID 63324328

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride (CID 163408539) is 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCc1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is NQRGIPMCOAFQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O.ClH/c17-15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-19-16(20)7-8-18;/h1-6,9-10H,7-8,11,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 308.78 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 163408539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).