N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide

C17H19ClN2O3 — CID 50878617

IUPACN-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCOc1ccc(N)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,23-13-7-4-11(18)5-8-13)16(21)20-14-10-12(19)6-9-15(14)22-3/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyRYBXVEBLMFCRHY-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.73
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide

N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 50878617) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID50878617
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCOc1ccc(N)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,23-13-7-4-11(18)5-8-13)16(21)20-14-10-12(19)6-9-15(14)22-3/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyRYBXVEBLMFCRHY-UHFFFAOYSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 28677113
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 30307954
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17116966
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
CID 1257164
N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 100828381
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
CID 154646082

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide (CID 50878617) is N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide is COc1ccc(N)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is RYBXVEBLMFCRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-17(2,23-13-7-4-11(18)5-8-13)16(21)20-14-10-12(19)6-9-15(14)22-3/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide?
N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 334.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 50878617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).