2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide

C11H16ClN3O — CID 103247068

IUPAC2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3O/c12-9-3-1-8(2-4-9)5-6-15-7-10(13)11(14)16/h1-4,10,15H,5-7,13H2,(H2,14,16)
InChIKeyCNQPJPNOMRZYHT-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.28
Rot. Bonds6

About 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide

2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide (PubChem CID 103247068) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
PubChem CID103247068
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3O/c12-9-3-1-8(2-4-9)5-6-15-7-10(13)11(14)16/h1-4,10,15H,5-7,13H2,(H2,14,16)
InChIKeyCNQPJPNOMRZYHT-UHFFFAOYSA-N
XLogP0.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 103249006
(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
CID 67666969
methyl 2-[[2-(4-chlorophenyl)ethylamino]methyl]butanoate
CID 115253212
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 103247876

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide (CID 103247068) is 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide is NC(=O)C(N)CNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The InChIKey is CNQPJPNOMRZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-9-3-1-8(2-4-9)5-6-15-7-10(13)11(14)16/h1-4,10,15H,5-7,13H2,(H2,14,16).
What are the key properties of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide?
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide has a molecular weight of 241.72 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 103247068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).