1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide

C19H17FN2O — CID 110605839

IUPAC1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1c[nH]c2ccccc12)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN2O/c20-16-7-3-2-6-15(16)19(9-10-19)18(23)22-12-13-11-21-17-8-4-1-5-14(13)17/h1-8,11,21H,9-10,12H2,(H,22,23)
InChIKeyDMAHJDHBVLSDIR-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 110605839) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID110605839
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1c[nH]c2ccccc12)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN2O/c20-16-7-3-2-6-15(16)19(9-10-19)18(23)22-12-13-11-21-17-8-4-1-5-14(13)17/h1-8,11,21H,9-10,12H2,(H,22,23)
InChIKeyDMAHJDHBVLSDIR-UHFFFAOYSA-N
XLogP3.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
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CID 110438229
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
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4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide
CID 110605826
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
3-fluoro-N-(1H-indol-3-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 172894794
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide (CID 110605839) is 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1c[nH]c2ccccc12)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is DMAHJDHBVLSDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-16-7-3-2-6-15(16)19(9-10-19)18(23)22-12-13-11-21-17-8-4-1-5-14(13)17/h1-8,11,21H,9-10,12H2,(H,22,23).
What are the key properties of 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110605839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).