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

C20H14Cl2N2O3 — CID 13186092

IUPAC2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-16-9-5-4-8-15(16)19(25)24-20(26)23-13-10-11-18(17(22)12-13)27-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26)
InChIKeyQWYWSGDDIPORMH-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.75
Rot. Bonds4

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

2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide (PubChem CID 13186092) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
PubChem CID13186092
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-16-9-5-4-8-15(16)19(25)24-20(26)23-13-10-11-18(17(22)12-13)27-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26)
InChIKeyQWYWSGDDIPORMH-UHFFFAOYSA-N
XLogP5.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
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-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
S-methyl N-(3-chloro-4-phenoxyphenyl)carbamothioate
CID 12806991
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
[4-[(2-chlorobenzoyl)carbamoylamino]-2-phenylphenyl] benzenesulfonate
CID 134107386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide (CID 13186092) is 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide?
The InChIKey is QWYWSGDDIPORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-16-9-5-4-8-15(16)19(25)24-20(26)23-13-10-11-18(17(22)12-13)27-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26).
What are the key properties of 2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide?
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide has a molecular weight of 401.25 g/mol, XLogP of 5.75, 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-phenoxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 13186092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).