1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

C19H16ClFN2O — CID 113210934

IUPAC1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H16ClFN2O/c20-13-3-6-17-15(9-13)16(11-22-17)19(7-8-19)18(24)23-10-12-1-4-14(21)5-2-12/h1-6,9,11,22H,7-8,10H2,(H,23,24)
InChIKeyQTJFXSXLVUGJOK-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.31
Rot. Bonds4

About 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 113210934) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID113210934
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H16ClFN2O/c20-13-3-6-17-15(9-13)16(11-22-17)19(7-8-19)18(24)23-10-12-1-4-14(21)5-2-12/h1-6,9,11,22H,7-8,10H2,(H,23,24)
InChIKeyQTJFXSXLVUGJOK-UHFFFAOYSA-N
XLogP4.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584
1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
CID 113210973
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
CID 110605839
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 113210934) is 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QTJFXSXLVUGJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-13-3-6-17-15(9-13)16(11-22-17)19(7-8-19)18(24)23-10-12-1-4-14(21)5-2-12/h1-6,9,11,22H,7-8,10H2,(H,23,24).
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113210934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).