4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide

C24H23Cl2N3O3 — CID 60577621

IUPAC4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-28(15-16-32-22-13-7-19(26)8-14-22)24(31)27-20-9-11-21(12-10-20)29(2)23(30)17-3-5-18(25)6-4-17/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKeyATMFTFOUBUQDPF-UHFFFAOYSA-N
MW472.37 g/mol
LogP5.81
Rot. Bonds7

About 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide

4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide (PubChem CID 60577621) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
PubChem CID60577621
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O3/c1-28(15-16-32-22-13-7-19(26)8-14-22)24(31)27-20-9-11-21(12-10-20)29(2)23(30)17-3-5-18(25)6-4-17/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKeyATMFTFOUBUQDPF-UHFFFAOYSA-N
XLogP5.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
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N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
CID 42911596
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
3-(3-chloro-4-methylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 24528891
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide (CID 60577621) is 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide?
The InChIKey is ATMFTFOUBUQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-28(15-16-32-22-13-7-19(26)8-14-22)24(31)27-20-9-11-21(12-10-20)29(2)23(30)17-3-5-18(25)6-4-17/h3-14H,15-16H2,1-2H3,(H,27,31).
What are the key properties of 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide?
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide has a molecular weight of 472.37 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 60577621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).