4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride

C12H18Cl2N2O2 — CID 119295708

IUPAC4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2.ClH/c13-10-3-1-4-11(9-10)17-8-7-15-12(16)5-2-6-14;/h1,3-4,9H,2,5-8,14H2,(H,15,16);1H
InChIKeyKVNDFCUQDKRSPN-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride

4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride (PubChem CID 119295708) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
PubChem CID119295708
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2.ClH/c13-10-3-1-4-11(9-10)17-8-7-15-12(16)5-2-6-14;/h1,3-4,9H,2,5-8,14H2,(H,15,16);1H
InChIKeyKVNDFCUQDKRSPN-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

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CID 119295694
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
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4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride (CID 119295708) is 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride?
The InChIKey is KVNDFCUQDKRSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c13-10-3-1-4-11(9-10)17-8-7-15-12(16)5-2-6-14;/h1,3-4,9H,2,5-8,14H2,(H,15,16);1H.
What are the key properties of 4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(3-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-(3-chlorophenoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119295708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).