4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide

C16H23ClN2O2 — CID 83034731

IUPAC4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(N)c(Cl)c2)CCO1
InChIInChI=1S/C16H23ClN2O2/c1-3-16(4-2)10-12(7-8-21-16)19-15(20)11-5-6-14(18)13(17)9-11/h5-6,9,12H,3-4,7-8,10,18H2,1-2H3,(H,19,20)
InChIKeyZHDQPFYOVDUTAW-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.39
Rot. Bonds4

About 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide

4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide (PubChem CID 83034731) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
PubChem CID83034731
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(N)c(Cl)c2)CCO1
InChIInChI=1S/C16H23ClN2O2/c1-3-16(4-2)10-12(7-8-21-16)19-15(20)11-5-6-14(18)13(17)9-11/h5-6,9,12H,3-4,7-8,10,18H2,1-2H3,(H,19,20)
InChIKeyZHDQPFYOVDUTAW-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.39
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

2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
CID 82765218
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone
CID 104613073
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
CID 83028148
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide (CID 83034731) is 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide is CCC1(CC)CC(NC(=O)c2ccc(N)c(Cl)c2)CCO1.
What is the InChIKey of 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide?
The InChIKey is ZHDQPFYOVDUTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-16(4-2)10-12(7-8-21-16)19-15(20)11-5-6-14(18)13(17)9-11/h5-6,9,12H,3-4,7-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide?
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide has a molecular weight of 310.82 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide is sourced from PubChem (CID 83034731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).