4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide

C16H16ClNO2 — CID 58276768

IUPAC4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cccc(OCCCl)c1
InChIInChI=1S/C16H16ClNO2/c1-11-9-13(16(18)19)5-6-15(11)12-3-2-4-14(10-12)20-8-7-17/h2-6,9-10H,7-8H2,1H3,(H2,18,19)
InChIKeyZUFJKIPOCLHRNJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.38
Rot. Bonds5

About 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide

4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide (PubChem CID 58276768) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide
PubChem CID58276768
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cccc(OCCCl)c1
InChIInChI=1S/C16H16ClNO2/c1-11-9-13(16(18)19)5-6-15(11)12-3-2-4-14(10-12)20-8-7-17/h2-6,9-10H,7-8H2,1H3,(H2,18,19)
InChIKeyZUFJKIPOCLHRNJ-UHFFFAOYSA-N
XLogP3.38
TPSA52.32 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262
1-(4-chlorobutoxy)-3-(2-methylphenyl)benzene
CID 21281277
3-propoxybenzamide
CID 22311435
4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
CID 58276465
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene
CID 21281407
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide?
The IUPAC name of 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide (CID 58276768) is 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1cccc(OCCCl)c1.
What is the InChIKey of 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide?
The InChIKey is ZUFJKIPOCLHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-9-13(16(18)19)5-6-15(11)12-3-2-4-14(10-12)20-8-7-17/h2-6,9-10H,7-8H2,1H3,(H2,18,19).
What are the key properties of 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide?
4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide is sourced from PubChem (CID 58276768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).