4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide

C12H16Cl2N2O2 — CID 82832518

IUPAC4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
SMILESCCC(COC)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-3-8(6-18-2)16-12(17)7-4-9(13)11(15)10(14)5-7/h4-5,8H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyAFBCUKMCOQIJQI-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.73
Rot. Bonds5

About 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide

4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide (PubChem CID 82832518) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
PubChem CID82832518
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
SMILESCCC(COC)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-3-8(6-18-2)16-12(17)7-4-9(13)11(15)10(14)5-7/h4-5,8H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyAFBCUKMCOQIJQI-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.73
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

4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
CID 122135859
3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091859
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
3-amino-5-ethoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091951
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 166390972
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide (CID 82832518) is 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide is CCC(COC)NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide?
The InChIKey is AFBCUKMCOQIJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-3-8(6-18-2)16-12(17)7-4-9(13)11(15)10(14)5-7/h4-5,8H,3,6,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide?
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide has a molecular weight of 291.18 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 82832518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).