3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide

C15H20Cl2N2O3 — CID 22254314

IUPAC3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)CCN(C(=O)CCl)c1cccc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3/c1-15(2,3)22-18-13(20)7-8-19(14(21)10-16)12-6-4-5-11(17)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,18,20)
InChIKeyIKZGUGJTKRXASK-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.15
Rot. Bonds6

About 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide

3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 22254314) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID22254314
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)CCN(C(=O)CCl)c1cccc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3/c1-15(2,3)22-18-13(20)7-8-19(14(21)10-16)12-6-4-5-11(17)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,18,20)
InChIKeyIKZGUGJTKRXASK-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
2-[3-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159946
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39384213
tert-butyl N-[2-[3-chloro-N-(2-isocyanoethyl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 59364383
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride
CID 21314741
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 22254314) is 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)ONC(=O)CCN(C(=O)CCl)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is IKZGUGJTKRXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-15(2,3)22-18-13(20)7-8-19(14(21)10-16)12-6-4-5-11(17)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide?
3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 347.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-(2-chloroacetyl)anilino)-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 22254314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).