2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide

C20H13Cl3N2O3 — CID 44561285

IUPAC2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C20H13Cl3N2O3/c21-12-5-8-14(9-6-12)28-18-10-7-13(11-17(18)23)24-20(27)25-19(26)15-3-1-2-4-16(15)22/h1-11H,(H2,24,25,26,27)
InChIKeyGCHJLHIBGBKBIA-UHFFFAOYSA-N
MW435.69 g/mol
LogP6.40
Rot. Bonds4

About 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide

2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide (PubChem CID 44561285) has the molecular formula C20H13Cl3N2O3 and a molecular weight of 435.69 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
PubChem CID44561285
Molecular FormulaC20H13Cl3N2O3
Molecular Weight435.69 g/mol
Exact Mass434.00
IUPAC Name2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C20H13Cl3N2O3/c21-12-5-8-14(9-6-12)28-18-10-7-13(11-17(18)23)24-20(27)25-19(26)15-3-1-2-4-16(15)22/h1-11H,(H2,24,25,26,27)
InChIKeyGCHJLHIBGBKBIA-UHFFFAOYSA-N
XLogP6.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.69
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-chloro-N-[[4-[4-(4-chlorophenyl)sulfinyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654120
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
CID 13186097
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide (CID 44561285) is 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide?
The InChIKey is GCHJLHIBGBKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O3/c21-12-5-8-14(9-6-12)28-18-10-7-13(11-17(18)23)24-20(27)25-19(26)15-3-1-2-4-16(15)22/h1-11H,(H2,24,25,26,27).
What are the key properties of 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide has a molecular weight of 435.69 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 44561285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).