3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide

C16H17ClN2O2 — CID 43376930

IUPAC3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
SMILESCCc1cc(OCc2ccc(C(N)=O)cc2N)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-10-7-13(5-6-14(10)17)21-9-12-4-3-11(16(19)20)8-15(12)18/h3-8H,2,9,18H2,1H3,(H2,19,20)
InChIKeyOKWVVDAWXBSVBO-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.16
Rot. Bonds5

About 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide

3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide (PubChem CID 43376930) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
PubChem CID43376930
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
SMILESCCc1cc(OCc2ccc(C(N)=O)cc2N)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-2-10-7-13(5-6-14(10)17)21-9-12-4-3-11(16(19)20)8-15(12)18/h3-8H,2,9,18H2,1H3,(H2,19,20)
InChIKeyOKWVVDAWXBSVBO-UHFFFAOYSA-N
XLogP3.16
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 43376404
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
3-amino-4-ethylbenzamide
CID 19977641
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
CID 107708557
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide?
The IUPAC name of 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide (CID 43376930) is 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide is CCc1cc(OCc2ccc(C(N)=O)cc2N)ccc1Cl.
What is the InChIKey of 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide?
The InChIKey is OKWVVDAWXBSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-10-7-13(5-6-14(10)17)21-9-12-4-3-11(16(19)20)8-15(12)18/h3-8H,2,9,18H2,1H3,(H2,19,20).
What are the key properties of 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide?
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 43376930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).