N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide

C18H16Cl2N2O3 — CID 13041497

IUPACN-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OC2CC2(Cl)Cl)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-11-4-2-3-5-14(11)16(23)22-17(24)21-12-6-8-13(9-7-12)25-15-10-18(15,19)20/h2-9,15H,10H2,1H3,(H2,21,22,23,24)
InChIKeyJWQBGNAHQOXDBW-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.28
Rot. Bonds4

About N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide

N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide (PubChem CID 13041497) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide
PubChem CID13041497
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC NameN-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OC2CC2(Cl)Cl)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-11-4-2-3-5-14(11)16(23)22-17(24)21-12-6-8-13(9-7-12)25-15-10-18(15,19)20/h2-9,15H,10H2,1H3,(H2,21,22,23,24)
InChIKeyJWQBGNAHQOXDBW-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
CID 70575711
N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
CID 20524365
2-methyl-N-[[4-(1-phenoxyethyl)phenyl]carbamoyl]benzamide
CID 70577786
2-methyl-N-[[4-(1-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524502
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
2-chloro-N-[[4-[4-(4-chlorophenyl)sulfinyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654120
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide (CID 13041497) is N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(=O)Nc1ccc(OC2CC2(Cl)Cl)cc1.
What is the InChIKey of N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide?
The InChIKey is JWQBGNAHQOXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-11-4-2-3-5-14(11)16(23)22-17(24)21-12-6-8-13(9-7-12)25-15-10-18(15,19)20/h2-9,15H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide?
N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide has a molecular weight of 379.24 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide is sourced from PubChem (CID 13041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).