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

C9H12Cl2N2O — CID 122360252

IUPAC3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC(=O)CC(N)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O.ClH/c10-7-3-1-2-6(4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H
InChIKeyRZLRCKQKMJXBTQ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.64
Rot. Bonds3

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

3-amino-3-(3-chlorophenyl)propanamide;hydrochloride (PubChem CID 122360252) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
PubChem CID122360252
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC(=O)CC(N)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O.ClH/c10-7-3-1-2-6(4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H
InChIKeyRZLRCKQKMJXBTQ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-chlorophenyl)propanoate
CID 22608540
(2R)-2-(3-chlorophenyl)butanediamide
CID 94675074
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
(1S)-1-(3-chlorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219115
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366041
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride (CID 122360252) is 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride is Cl.NC(=O)CC(N)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride?
The InChIKey is RZLRCKQKMJXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c10-7-3-1-2-6(4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H.
What are the key properties of 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride?
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 122360252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).