4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

C14H21ClN2O2 — CID 106249424

IUPAC4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-14(4-2,9-18)8-17-13(19)10-5-6-12(16)11(15)7-10/h5-7,18H,3-4,8-9,16H2,1-2H3,(H,17,19)
InChIKeyBOYVCBMYWIFSOK-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.45
Rot. Bonds6

About 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide (PubChem CID 106249424) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
PubChem CID106249424
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-14(4-2,9-18)8-17-13(19)10-5-6-12(16)11(15)7-10/h5-7,18H,3-4,8-9,16H2,1-2H3,(H,17,19)
InChIKeyBOYVCBMYWIFSOK-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66185809
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-nitrobenzamide
CID 104864845
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
CID 103843738
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
CID 103843375
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-nitrobenzamide
CID 103843606
7-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 103843724

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide (CID 106249424) is 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide is CCC(CC)(CO)CNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The InChIKey is BOYVCBMYWIFSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-14(4-2,9-18)8-17-13(19)10-5-6-12(16)11(15)7-10/h5-7,18H,3-4,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide has a molecular weight of 284.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide is sourced from PubChem (CID 106249424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).