7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide

C14H20ClNO3 — CID 39387148

IUPAC7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
SMILESCc1cc(Cl)ccc1OCCCCCCC(=O)NO
InChIInChI=1S/C14H20ClNO3/c1-11-10-12(15)7-8-13(11)19-9-5-3-2-4-6-14(17)16-18/h7-8,10,18H,2-6,9H2,1H3,(H,16,17)
InChIKeyMGXAFZHMKWIBEL-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.48
Rot. Bonds8

About 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide

7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide (PubChem CID 39387148) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
PubChem CID39387148
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
SMILESCc1cc(Cl)ccc1OCCCCCCC(=O)NO
InChIInChI=1S/C14H20ClNO3/c1-11-10-12(15)7-8-13(11)19-9-5-3-2-4-6-14(17)16-18/h7-8,10,18H,2-6,9H2,1H3,(H,16,17)
InChIKeyMGXAFZHMKWIBEL-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-7-(2,4,5-trimethylphenoxy)heptanamide
CID 39379617
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
7-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-N-hydroxyheptanamide
CID 134426097
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
undecyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 91699079

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide?
The IUPAC name of 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide (CID 39387148) is 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide?
The canonical SMILES for 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide is Cc1cc(Cl)ccc1OCCCCCCC(=O)NO.
What is the InChIKey of 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide?
The InChIKey is MGXAFZHMKWIBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-11-10-12(15)7-8-13(11)19-9-5-3-2-4-6-14(17)16-18/h7-8,10,18H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide?
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide has a molecular weight of 285.77 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide is sourced from PubChem (CID 39387148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).