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

C21H16Cl2N2O3 — CID 70576608

IUPAC2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(COc2ccccc2)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2O3/c22-18-9-5-4-8-17(18)20(26)25-21(27)24-15-11-10-14(19(23)12-15)13-28-16-6-2-1-3-7-16/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyYINQTPRWMOUZOO-UHFFFAOYSA-N
MW415.28 g/mol
LogP5.53
Rot. Bonds5

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

2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide (PubChem CID 70576608) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
PubChem CID70576608
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(COc2ccccc2)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2O3/c22-18-9-5-4-8-17(18)20(26)25-21(27)24-15-11-10-14(19(23)12-15)13-28-16-6-2-1-3-7-16/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyYINQTPRWMOUZOO-UHFFFAOYSA-N
XLogP5.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.53
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
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-chloro-N-[[4-(2-methyl-1-phenylpropan-2-yl)oxyphenyl]carbamoyl]benzamide
CID 20524420
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide (CID 70576608) is 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(COc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide?
The InChIKey is YINQTPRWMOUZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-18-9-5-4-8-17(18)20(26)25-21(27)24-15-11-10-14(19(23)12-15)13-28-16-6-2-1-3-7-16/h1-12H,13H2,(H2,24,25,26,27).
What are the key properties of 2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 5.53, 5 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-(phenoxymethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 70576608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).