3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride

C12H18Cl2N2O — CID 119276743

IUPAC3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-2-11(15-12(16)7-8-14)9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3,(H,15,16);1H
InChIKeyZUPLBQMWFVNJHJ-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.68
Rot. Bonds5

About 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride

3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride (PubChem CID 119276743) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
PubChem CID119276743
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCN)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-2-11(15-12(16)7-8-14)9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3,(H,15,16);1H
InChIKeyZUPLBQMWFVNJHJ-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride (CID 119276743) is 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride is CCC(NC(=O)CCN)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride?
The InChIKey is ZUPLBQMWFVNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-2-11(15-12(16)7-8-14)9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride?
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119276743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).