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

C14H21ClN2O2 — CID 106249355

IUPAC2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
SMILESCCC(CC)(CO)CNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H21ClN2O2/c1-3-14(4-2,9-18)8-17-13(19)10-6-5-7-11(15)12(10)16/h5-7,18H,3-4,8-9,16H2,1-2H3,(H,17,19)
InChIKeyGPGZCQLSKIQUIV-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.45
Rot. Bonds6

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

2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide (PubChem CID 106249355) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
PubChem CID106249355
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
SMILESCCC(CC)(CO)CNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H21ClN2O2/c1-3-14(4-2,9-18)8-17-13(19)10-6-5-7-11(15)12(10)16/h5-7,18H,3-4,8-9,16H2,1-2H3,(H,17,19)
InChIKeyGPGZCQLSKIQUIV-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

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 115540629
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-nitrobenzamide
CID 106252009
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide
CID 103843634
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide (CID 106249355) is 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide is CCC(CC)(CO)CNC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The InChIKey is GPGZCQLSKIQUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-14(4-2,9-18)8-17-13(19)10-6-5-7-11(15)12(10)16/h5-7,18H,3-4,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
2-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 2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide is sourced from PubChem (CID 106249355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).