2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

C19H21ClN2O2 — CID 54832705

IUPAC2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(2)13-24-17-9-7-16(8-10-17)22-19(23)12-21-11-15-5-3-4-6-18(15)20/h3-10,21H,1,11-13H2,2H3,(H,22,23)
InChIKeyLKFOWORHAUPQAR-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.02
Rot. Bonds8

About 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54832705) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54832705
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(2)13-24-17-9-7-16(8-10-17)22-19(23)12-21-11-15-5-3-4-6-18(15)20/h3-10,21H,1,11-13H2,2H3,(H,22,23)
InChIKeyLKFOWORHAUPQAR-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119738642
2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54819813
2-[(2-chlorophenyl)methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 54832861
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54830155
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54832705) is 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccc(NC(=O)CNCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is LKFOWORHAUPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(2)13-24-17-9-7-16(8-10-17)22-19(23)12-21-11-15-5-3-4-6-18(15)20/h3-10,21H,1,11-13H2,2H3,(H,22,23).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 344.84 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54832705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).