2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide

C14H20Cl2N2O2 — CID 122536323

IUPAC2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide
SMILESCOc1cccc(C)c1NC(=O)CN(CCCl)CCCl
InChIInChI=1S/C14H20Cl2N2O2/c1-11-4-3-5-12(20-2)14(11)17-13(19)10-18(8-6-15)9-7-16/h3-5H,6-10H2,1-2H3,(H,17,19)
InChIKeyHRYRJQXYJFXNBI-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.72
Rot. Bonds8

About 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide

2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide (PubChem CID 122536323) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide
PubChem CID122536323
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide
SMILESCOc1cccc(C)c1NC(=O)CN(CCCl)CCCl
InChIInChI=1S/C14H20Cl2N2O2/c1-11-4-3-5-12(20-2)14(11)17-13(19)10-18(8-6-15)9-7-16/h3-5H,6-10H2,1-2H3,(H,17,19)
InChIKeyHRYRJQXYJFXNBI-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 89442401
CID 89442401
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-(2-amino-6-methylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444432

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide?
The IUPAC name of 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide (CID 122536323) is 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide?
The canonical SMILES for 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide is COc1cccc(C)c1NC(=O)CN(CCCl)CCCl.
What is the InChIKey of 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide?
The InChIKey is HRYRJQXYJFXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-11-4-3-5-12(20-2)14(11)17-13(19)10-18(8-6-15)9-7-16/h3-5H,6-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide?
2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide has a molecular weight of 319.23 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide is sourced from PubChem (CID 122536323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).