N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide

C18H15ClF2N2O2 — CID 7999030

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H15ClF2N2O2/c19-14-9-12(6-7-16(14)25-18(20)21)23-17(24)8-5-11-10-22-15-4-2-1-3-13(11)15/h1-4,6-7,9-10,18,22H,5,8H2,(H,23,24)
InChIKeyOURGQIVFOVQPDO-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.99
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 7999030) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID7999030
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H15ClF2N2O2/c19-14-9-12(6-7-16(14)25-18(20)21)23-17(24)8-5-11-10-22-15-4-2-1-3-13(11)15/h1-4,6-7,9-10,18,22H,5,8H2,(H,23,24)
InChIKeyOURGQIVFOVQPDO-UHFFFAOYSA-N
XLogP4.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-chloro-4-(difluoromethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 78871454
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8892189
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46699053

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide (CID 7999030) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is OURGQIVFOVQPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c19-14-9-12(6-7-16(14)25-18(20)21)23-17(24)8-5-11-10-22-15-4-2-1-3-13(11)15/h1-4,6-7,9-10,18,22H,5,8H2,(H,23,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 364.78 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 7999030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).