N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide

C15H13Cl3N2O2 — CID 91687685

IUPACN-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl
InChIInChI=1S/C15H13Cl3N2O2/c1-7-3-12(19)13(6-9(7)16)20-15(21)8-4-10(17)14(22-2)11(18)5-8/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyVITVJBFFXUPVKK-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.80
Rot. Bonds3

About N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide

N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 91687685) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
PubChem CID91687685
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC NameN-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl
InChIInChI=1S/C15H13Cl3N2O2/c1-7-3-12(19)13(6-9(7)16)20-15(21)8-4-10(17)14(22-2)11(18)5-8/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyVITVJBFFXUPVKK-UHFFFAOYSA-N
XLogP4.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.80
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

N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
CID 91687297
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
N-(2-amino-5-chloro-4-methylphenyl)-5-chloro-2-methoxybenzamide
CID 91687657
N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
CID 100829828
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide (CID 91687685) is N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl.
What is the InChIKey of N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is VITVJBFFXUPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c1-7-3-12(19)13(6-9(7)16)20-15(21)8-4-10(17)14(22-2)11(18)5-8/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide?
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 359.64 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 91687685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).