2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide

C22H18Cl2N2O3 — CID 140668448

IUPAC2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-16-7-5-15(6-8-16)13-26(18-11-9-17(24)10-12-18)21(27)14-29-20-4-2-1-3-19(20)22(25)28/h1-12H,13-14H2,(H2,25,28)
InChIKeyAIMULVVRECOIMJ-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.70
Rot. Bonds7

About 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide

2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide (PubChem CID 140668448) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide
PubChem CID140668448
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-16-7-5-15(6-8-16)13-26(18-11-9-17(24)10-12-18)21(27)14-29-20-4-2-1-3-19(20)22(25)28/h1-12H,13-14H2,(H2,25,28)
InChIKeyAIMULVVRECOIMJ-UHFFFAOYSA-N
XLogP4.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide
CID 38859069
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide
CID 8851691
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-phenylacetamide
CID 91802129
2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
CID 127028520
2-phenacyloxybenzamide
CID 43218588
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide (CID 140668448) is 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide?
The InChIKey is AIMULVVRECOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-16-7-5-15(6-8-16)13-26(18-11-9-17(24)10-12-18)21(27)14-29-20-4-2-1-3-19(20)22(25)28/h1-12H,13-14H2,(H2,25,28).
What are the key properties of 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide?
2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide has a molecular weight of 429.30 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 140668448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).