N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide

C16H16ClNO2 — CID 2302635

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-12-3-2-4-13(11-12)16(19)18-9-10-20-15-7-5-14(17)6-8-15/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyMFEHYBKBLXHGNP-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide (PubChem CID 2302635) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
PubChem CID2302635
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-12-3-2-4-13(11-12)16(19)18-9-10-20-15-7-5-14(17)6-8-15/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyMFEHYBKBLXHGNP-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-chlorophenoxy)butylamino]-3-oxopropyl]-3-methylbenzamide
CID 18209020
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290573
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527750
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide (CID 2302635) is N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide?
The InChIKey is MFEHYBKBLXHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-3-2-4-13(11-12)16(19)18-9-10-20-15-7-5-14(17)6-8-15/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide is sourced from PubChem (CID 2302635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).