2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide

C13H18Cl2N2O — CID 15344

IUPAC2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(CCCl)CCCl)c1ccccc1
InChIInChI=1S/C13H18Cl2N2O/c1-16(12-5-3-2-4-6-12)13(18)11-17(9-7-14)10-8-15/h2-6H,7-11H2,1H3
InChIKeyDCYOHOPBPIZKLC-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.43
Rot. Bonds7

About 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide

2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide (PubChem CID 15344) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
PubChem CID15344
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(CCCl)CCCl)c1ccccc1
InChIInChI=1S/C13H18Cl2N2O/c1-16(12-5-3-2-4-6-12)13(18)11-17(9-7-14)10-8-15/h2-6H,7-11H2,1H3
InChIKeyDCYOHOPBPIZKLC-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113160477
2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822694
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide (CID 15344) is 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide is CN(C(=O)CN(CCCl)CCCl)c1ccccc1.
What is the InChIKey of 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is DCYOHOPBPIZKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-16(12-5-3-2-4-6-12)13(18)11-17(9-7-14)10-8-15/h2-6H,7-11H2,1H3.
What are the key properties of 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide?
2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 289.21 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 15344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).