N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H21FN2O — CID 113214312

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C20H21FN2O/c21-18-7-5-17(6-8-18)20(10-11-20)14-22-19(24)23-12-9-15-3-1-2-4-16(15)13-23/h1-8H,9-14H2,(H,22,24)
InChIKeyMRANBMDXPMTYCL-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.63
Rot. Bonds3

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 113214312) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID113214312
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C20H21FN2O/c21-18-7-5-17(6-8-18)20(10-11-20)14-22-19(24)23-12-9-15-3-1-2-4-16(15)13-23/h1-8H,9-14H2,(H,22,24)
InChIKeyMRANBMDXPMTYCL-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113213995
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2364370
N-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 115616978

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 113214312) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is MRANBMDXPMTYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-7-5-17(6-8-18)20(10-11-20)14-22-19(24)23-12-9-15-3-1-2-4-16(15)13-23/h1-8H,9-14H2,(H,22,24).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 113214312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).