3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide

C14H21ClN2O — CID 65037878

IUPAC3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2O/c1-4-14(5-2,6-3)17-13(18)10-7-8-11(15)12(16)9-10/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyWBNVWIVHUFQAEL-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.62
Rot. Bonds5

About 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide

3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide (PubChem CID 65037878) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
PubChem CID65037878
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2O/c1-4-14(5-2,6-3)17-13(18)10-7-8-11(15)12(16)9-10/h7-9H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyWBNVWIVHUFQAEL-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-amino-N-(3-ethylpentan-3-yl)-3-iodobenzamide
CID 112750872
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
3-[(4-chloro-3-fluorobenzoyl)amino]-3-ethylpentanoic acid
CID 120532577
3-amino-4-chloro-N',N'-dimethylbenzohydrazide
CID 83012713
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-4-hydroxybenzamide
CID 107867994
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide (CID 65037878) is 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide is CCC(CC)(CC)NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide?
The InChIKey is WBNVWIVHUFQAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-14(5-2,6-3)17-13(18)10-7-8-11(15)12(16)9-10/h7-9H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide?
3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide is sourced from PubChem (CID 65037878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).