N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide

C17H14ClF2NO2 — CID 8696473

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14ClF2NO2/c18-13-10-12(6-7-14(13)23-16(19)20)21-15(22)17(8-9-17)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,21,22)
InChIKeyACYDUTMUNIDUDC-UHFFFAOYSA-N
MW337.75 g/mol
LogP4.61
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 8696473) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID8696473
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14ClF2NO2/c18-13-10-12(6-7-14(13)23-16(19)20)21-15(22)17(8-9-17)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,21,22)
InChIKeyACYDUTMUNIDUDC-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 63122437
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
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N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 9046647
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4845291
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide (CID 8696473) is N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is ACYDUTMUNIDUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c18-13-10-12(6-7-14(13)23-16(19)20)21-15(22)17(8-9-17)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,21,22).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 337.75 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 8696473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).