4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride

C12H18Cl2N2O2 — CID 119271547

IUPAC4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2.ClH/c13-10-3-5-11(6-4-10)17-9-8-15-12(16)2-1-7-14;/h3-6H,1-2,7-9,14H2,(H,15,16);1H
InChIKeyBLBURPCJVVLSDN-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride

4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride (PubChem CID 119271547) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
PubChem CID119271547
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2.ClH/c13-10-3-5-11(6-4-10)17-9-8-15-12(16)2-1-7-14;/h3-6H,1-2,7-9,14H2,(H,15,16);1H
InChIKeyBLBURPCJVVLSDN-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide
CID 89167610

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride (CID 119271547) is 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride?
The InChIKey is BLBURPCJVVLSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c13-10-3-5-11(6-4-10)17-9-8-15-12(16)2-1-7-14;/h3-6H,1-2,7-9,14H2,(H,15,16);1H.
What are the key properties of 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119271547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).