N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide

C13H19ClN2O2 — CID 111770376

IUPACN-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1NCCCCCO
InChIInChI=1S/C13H19ClN2O2/c1-10(18)16-12-6-5-11(14)9-13(12)15-7-3-2-4-8-17/h5-6,9,15,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyPYPYBUANAWCWOD-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.87
Rot. Bonds7

About N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide

N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide (PubChem CID 111770376) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
PubChem CID111770376
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1NCCCCCO
InChIInChI=1S/C13H19ClN2O2/c1-10(18)16-12-6-5-11(14)9-13(12)15-7-3-2-4-8-17/h5-6,9,15,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyPYPYBUANAWCWOD-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(5-hydroxypentylamino)benzoic acid
CID 107317969
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
[4-chloro-2-(5-hydroxypentylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 111770354
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
CID 60602911
N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide (CID 111770376) is N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1NCCCCCO.
What is the InChIKey of N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide?
The InChIKey is PYPYBUANAWCWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(18)16-12-6-5-11(14)9-13(12)15-7-3-2-4-8-17/h5-6,9,15,17H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide?
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide is sourced from PubChem (CID 111770376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).