N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide

C18H16F2N2O3 — CID 27447613

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C18H16F2N2O3/c19-18(20)25-15-7-2-1-6-14(15)17(24)22-13-5-3-4-11(10-13)16(23)21-12-8-9-12/h1-7,10,12,18H,8-9H2,(H,21,23)(H,22,24)
InChIKeyLCPTZZGRSXWHFE-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.43
Rot. Bonds6

About N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide

N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide (PubChem CID 27447613) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
PubChem CID27447613
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C18H16F2N2O3/c19-18(20)25-15-7-2-1-6-14(15)17(24)22-13-5-3-4-11(10-13)16(23)21-12-8-9-12/h1-7,10,12,18H,8-9H2,(H,21,23)(H,22,24)
InChIKeyLCPTZZGRSXWHFE-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
CID 68778177
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
2-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethoxy]-N-phenylbenzamide
CID 9416652
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide (CID 27447613) is N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide is O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide?
The InChIKey is LCPTZZGRSXWHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-18(20)25-15-7-2-1-6-14(15)17(24)22-13-5-3-4-11(10-13)16(23)21-12-8-9-12/h1-7,10,12,18H,8-9H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide has a molecular weight of 346.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 27447613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).