5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid

C14H18ClNO3 — CID 82855203

IUPAC5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10(3-2-4-14(18)19)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyYTAXIWNDAVSPSU-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.64
Rot. Bonds7

About 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid

5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid (PubChem CID 82855203) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
PubChem CID82855203
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10(3-2-4-14(18)19)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyYTAXIWNDAVSPSU-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82847209
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
5-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 82846214
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid (CID 82855203) is 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid?
The InChIKey is YTAXIWNDAVSPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(3-2-4-14(18)19)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid?
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82855203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).