6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid

C14H18ClNO3 — CID 43579976

IUPAC6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c15-12-5-3-4-11(10-12)8-9-16-13(17)6-1-2-7-14(18)19/h3-5,10H,1-2,6-9H2,(H,16,17)(H,18,19)
InChIKeyWPEVMYYIZNWBMS-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.64
Rot. Bonds8

About 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid

6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid (PubChem CID 43579976) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
PubChem CID43579976
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c15-12-5-3-4-11(10-12)8-9-16-13(17)6-1-2-7-14(18)19/h3-5,10H,1-2,6-9H2,(H,16,17)(H,18,19)
InChIKeyWPEVMYYIZNWBMS-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
6-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43238428

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid (CID 43579976) is 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid?
The InChIKey is WPEVMYYIZNWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-5-3-4-11(10-12)8-9-16-13(17)6-1-2-7-14(18)19/h3-5,10H,1-2,6-9H2,(H,16,17)(H,18,19).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid?
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid is sourced from PubChem (CID 43579976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).