2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide

C19H18Cl4N2O2 — CID 72722181

IUPAC2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide
SMILESO=C(CN(CCCl)CCCl)Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl4N2O2/c20-7-9-25(10-8-21)12-18(26)24-17-6-5-15(23)11-16(17)19(27)13-1-3-14(22)4-2-13/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyWLMJTJZBAXKSIT-UHFFFAOYSA-N
MW448.18 g/mol
LogP4.94
Rot. Bonds9

About 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide

2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide (PubChem CID 72722181) has the molecular formula C19H18Cl4N2O2 and a molecular weight of 448.18 g/mol. Its IUPAC name is 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide
PubChem CID72722181
Molecular FormulaC19H18Cl4N2O2
Molecular Weight448.18 g/mol
Exact Mass446.01
IUPAC Name2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide
SMILESO=C(CN(CCCl)CCCl)Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl4N2O2/c20-7-9-25(10-8-21)12-18(26)24-17-6-5-15(23)11-16(17)19(27)13-1-3-14(22)4-2-13/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyWLMJTJZBAXKSIT-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.18
LogP ≤ 54.94
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

N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N-[4-[2-[(2-bromoacetyl)amino]-5-chlorobenzoyl]phenyl]-2,2,2-trifluoroacetamide
CID 12517307
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 50897778
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-(2-benzoyl-4-chlorophenyl)-2-[(1-ethoxy-2-oxoethenyl)-methylamino]acetamide
CID 88844912

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide?
The IUPAC name of 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide (CID 72722181) is 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide.
What is the SMILES notation for 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide?
The canonical SMILES for 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide is O=C(CN(CCCl)CCCl)Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide?
The InChIKey is WLMJTJZBAXKSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl4N2O2/c20-7-9-25(10-8-21)12-18(26)24-17-6-5-15(23)11-16(17)19(27)13-1-3-14(22)4-2-13/h1-6,11H,7-10,12H2,(H,24,26).
What are the key properties of 2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide?
2-[bis(2-chloroethyl)amino]-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide has a molecular weight of 448.18 g/mol, XLogP of 4.94, 9 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-[4-chloro-2-(4-chlorobenzoyl)phenyl]acetamide is sourced from PubChem (CID 72722181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).