3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide

C14H20Cl2N2O — CID 63843419

IUPAC3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-9(5-2)8(3)18-14(19)10-6-11(15)13(16)12(17)7-10/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyDULOMPRREBDZHF-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.13
Rot. Bonds5

About 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide

3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide (PubChem CID 63843419) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
PubChem CID63843419
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-9(5-2)8(3)18-14(19)10-6-11(15)13(16)12(17)7-10/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyDULOMPRREBDZHF-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.13
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

3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 61102024
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
CID 61140669
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347840
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-4,5-dichlorobenzoate
CID 61320652
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
6-amino-3-chloro-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 55257710

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide (CID 63843419) is 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide is CCC(CC)C(C)NC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide?
The InChIKey is DULOMPRREBDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-9(5-2)8(3)18-14(19)10-6-11(15)13(16)12(17)7-10/h6-9H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide?
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide has a molecular weight of 303.23 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide is sourced from PubChem (CID 63843419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).