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

C9H12Cl2N2O — CID 90202691

IUPAC3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC(=O)CCc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H11ClN2O.ClH/c10-7-5-6(1-3-8(7)11)2-4-9(12)13;/h1,3,5H,2,4,11H2,(H2,12,13);1H
InChIKeyXOFQBQYXYNFWRK-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.76
Rot. Bonds3

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

3-(4-amino-3-chlorophenyl)propanamide;hydrochloride (PubChem CID 90202691) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
PubChem CID90202691
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC(=O)CCc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H11ClN2O.ClH/c10-7-5-6(1-3-8(7)11)2-4-9(12)13;/h1,3,5H,2,4,11H2,(H2,12,13);1H
InChIKeyXOFQBQYXYNFWRK-UHFFFAOYSA-N
XLogP1.76
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.76
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-(3-amino-4-chlorophenyl)propanamide
CID 83796770
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
4-(3,4-dichlorophenyl)butanamide
CID 47319689
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
(4-amino-3-chlorophenyl)methyl carbamate
CID 175211951
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
3-(4-chloro-3-formylphenyl)propanamide
CID 90949982
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
2-chloro-4-propylaniline
CID 19914844
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-[4-amino-3-(4,4-dimethylcyclohexen-1-yl)phenyl]propanamide
CID 58994512

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride (CID 90202691) is 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride is Cl.NC(=O)CCc1ccc(N)c(Cl)c1.
What is the InChIKey of 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride?
The InChIKey is XOFQBQYXYNFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c10-7-5-6(1-3-8(7)11)2-4-9(12)13;/h1,3,5H,2,4,11H2,(H2,12,13);1H.
What are the key properties of 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride?
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 90202691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).