3-(3-amino-4-chlorophenyl)propanamide

C9H11ClN2O — CID 83796770

IUPAC3-(3-amino-4-chlorophenyl)propanamide
SMILESNC(=O)CCc1ccc(Cl)c(N)c1
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H2,12,13)
InChIKeyHVYMSKRGFTVTTI-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.34
Rot. Bonds3

About 3-(3-amino-4-chlorophenyl)propanamide

3-(3-amino-4-chlorophenyl)propanamide (PubChem CID 83796770) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(3-amino-4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-chlorophenyl)propanamide
PubChem CID83796770
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-(3-amino-4-chlorophenyl)propanamide
SMILESNC(=O)CCc1ccc(Cl)c(N)c1
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H2,12,13)
InChIKeyHVYMSKRGFTVTTI-UHFFFAOYSA-N
XLogP1.34
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
3-(4-chloro-3-formylphenyl)propanamide
CID 90949982
4-(3,4-dichlorophenyl)butanamide
CID 47319689
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071511
3-(3-amino-4-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071343
2-[(3-amino-4-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 54988874
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207
ethane;3-(4-methylphenyl)propanamide
CID 142510251

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-chlorophenyl)propanamide?
The IUPAC name of 3-(3-amino-4-chlorophenyl)propanamide (CID 83796770) is 3-(3-amino-4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-chlorophenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-chlorophenyl)propanamide is NC(=O)CCc1ccc(Cl)c(N)c1.
What is the InChIKey of 3-(3-amino-4-chlorophenyl)propanamide?
The InChIKey is HVYMSKRGFTVTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H2,12,13).
What are the key properties of 3-(3-amino-4-chlorophenyl)propanamide?
3-(3-amino-4-chlorophenyl)propanamide has a molecular weight of 198.65 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-chlorophenyl)propanamide is sourced from PubChem (CID 83796770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).