N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C18H14ClF2N3O2 — CID 16621443

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H14ClF2N3O2/c19-15-9-13(6-7-16(15)26-18(20)21)23-17(25)8-12-10-22-24(11-12)14-4-2-1-3-5-14/h1-7,9-11,18H,8H2,(H,23,25)
InChIKeyDYKFOSLDTZQGLU-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.31
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16621443) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16621443
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H14ClF2N3O2/c19-15-9-13(6-7-16(15)26-18(20)21)23-17(25)8-12-10-22-24(11-12)14-4-2-1-3-5-14/h1-7,9-11,18H,8H2,(H,23,25)
InChIKeyDYKFOSLDTZQGLU-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(5-chloro-2-pyridinyl)sulfanyl]acetamide
CID 112815647
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide
CID 29110977
1-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483030
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 16621443) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is DYKFOSLDTZQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c19-15-9-13(6-7-16(15)26-18(20)21)23-17(25)8-12-10-22-24(11-12)14-4-2-1-3-5-14/h1-7,9-11,18H,8H2,(H,23,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 377.78 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16621443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).