3-amino-N-(3-chloro-2-fluorophenyl)propanamide

C9H10ClFN2O — CID 28969296

IUPAC3-amino-N-(3-chloro-2-fluorophenyl)propanamide
SMILESNCCC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O/c10-6-2-1-3-7(9(6)11)13-8(14)4-5-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyVJISUYKHTZDTLL-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-N-(3-chloro-2-fluorophenyl)propanamide

3-amino-N-(3-chloro-2-fluorophenyl)propanamide (PubChem CID 28969296) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-fluorophenyl)propanamide
PubChem CID28969296
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name3-amino-N-(3-chloro-2-fluorophenyl)propanamide
SMILESNCCC(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O/c10-6-2-1-3-7(9(6)11)13-8(14)4-5-12/h1-3H,4-5,12H2,(H,13,14)
InChIKeyVJISUYKHTZDTLL-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
(3-chloro-2-fluorophenyl)urea
CID 28969166
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
CID 92944462
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-fluorophenyl)propanamide?
The IUPAC name of 3-amino-N-(3-chloro-2-fluorophenyl)propanamide (CID 28969296) is 3-amino-N-(3-chloro-2-fluorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-fluorophenyl)propanamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-fluorophenyl)propanamide is NCCC(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-amino-N-(3-chloro-2-fluorophenyl)propanamide?
The InChIKey is VJISUYKHTZDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c10-6-2-1-3-7(9(6)11)13-8(14)4-5-12/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 3-amino-N-(3-chloro-2-fluorophenyl)propanamide?
3-amino-N-(3-chloro-2-fluorophenyl)propanamide has a molecular weight of 216.64 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-fluorophenyl)propanamide is sourced from PubChem (CID 28969296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).