2-(2-chloroanilino)nonanoic acid

C15H22ClNO2 — CID 63524442

IUPAC2-(2-chloroanilino)nonanoic acid
SMILESCCCCCCCC(Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H22ClNO2/c1-2-3-4-5-6-11-14(15(18)19)17-13-10-8-7-9-12(13)16/h7-10,14,17H,2-6,11H2,1H3,(H,18,19)
InChIKeyYFMPCLNTWCZYBZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.57
Rot. Bonds9

About 2-(2-chloroanilino)nonanoic acid

2-(2-chloroanilino)nonanoic acid (PubChem CID 63524442) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(2-chloroanilino)nonanoic acid.

Molecular Properties

Compound Name2-(2-chloroanilino)nonanoic acid
PubChem CID63524442
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(2-chloroanilino)nonanoic acid
SMILESCCCCCCCC(Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H22ClNO2/c1-2-3-4-5-6-11-14(15(18)19)17-13-10-8-7-9-12(13)16/h7-10,14,17H,2-6,11H2,1H3,(H,18,19)
InChIKeyYFMPCLNTWCZYBZ-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.57
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

2-(2-phenylanilino)decanoic acid
CID 172791149
2-(2-bromo-3-chloroanilino)hexanoic acid
CID 103480450
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534
2-(benzylamino)nonanoic acid
CID 54889620
2-(4-methylanilino)nonanoic acid
CID 63524441
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
ethyl 2-(2-methylanilino)nonanoate
CID 63523920
2-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 103233518
2-(2-propylsulfonylanilino)hexanoic acid
CID 43470254
2-(4-bromoanilino)octanoic acid
CID 55223557
4-(1-carboxypentadecylamino)benzoic acid
CID 57200267

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)nonanoic acid?
The IUPAC name of 2-(2-chloroanilino)nonanoic acid (CID 63524442) is 2-(2-chloroanilino)nonanoic acid.
What is the SMILES notation for 2-(2-chloroanilino)nonanoic acid?
The canonical SMILES for 2-(2-chloroanilino)nonanoic acid is CCCCCCCC(Nc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloroanilino)nonanoic acid?
The InChIKey is YFMPCLNTWCZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-2-3-4-5-6-11-14(15(18)19)17-13-10-8-7-9-12(13)16/h7-10,14,17H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloroanilino)nonanoic acid?
2-(2-chloroanilino)nonanoic acid has a molecular weight of 283.80 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)nonanoic acid is sourced from PubChem (CID 63524442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).