N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide

C17H19ClN2O2 — CID 100817249

IUPACN-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-3-7-22-14-6-4-5-12(9-14)17(21)20-16-11(2)8-13(19)10-15(16)18/h4-6,8-10H,3,7,19H2,1-2H3,(H,20,21)
InChIKeyILWIPYJGHAFQOB-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.27
Rot. Bonds5

About N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide

N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide (PubChem CID 100817249) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide
PubChem CID100817249
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-3-7-22-14-6-4-5-12(9-14)17(21)20-16-11(2)8-13(19)10-15(16)18/h4-6,8-10H,3,7,19H2,1-2H3,(H,20,21)
InChIKeyILWIPYJGHAFQOB-UHFFFAOYSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.27
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-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
N-(5-chloropyrazin-2-yl)-3-propoxybenzamide
CID 107595713
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
CID 87002439
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide?
The IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide (CID 100817249) is N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Cl)c1.
What is the InChIKey of N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide?
The InChIKey is ILWIPYJGHAFQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-7-22-14-6-4-5-12(9-14)17(21)20-16-11(2)8-13(19)10-15(16)18/h4-6,8-10H,3,7,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide?
N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide has a molecular weight of 318.80 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide is sourced from PubChem (CID 100817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).