N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C20H21FN2O — CID 167975914

IUPACN-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1ccc(N(CC2CC2)C(=O)c2ccc3c(c2)CNC3)cc1F
InChIInChI=1S/C20H21FN2O/c1-13-2-7-18(9-19(13)21)23(12-14-3-4-14)20(24)15-5-6-16-10-22-11-17(16)8-15/h2,5-9,14,22H,3-4,10-12H2,1H3
InChIKeyPYJWWNZZOAOBAV-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.79
Rot. Bonds4

About N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 167975914) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID167975914
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCc1ccc(N(CC2CC2)C(=O)c2ccc3c(c2)CNC3)cc1F
InChIInChI=1S/C20H21FN2O/c1-13-2-7-18(9-19(13)21)23(12-14-3-4-14)20(24)15-5-6-16-10-22-11-17(16)8-15/h2,5-9,14,22H,3-4,10-12H2,1H3
InChIKeyPYJWWNZZOAOBAV-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 167975914) is N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is Cc1ccc(N(CC2CC2)C(=O)c2ccc3c(c2)CNC3)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is PYJWWNZZOAOBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-13-2-7-18(9-19(13)21)23(12-14-3-4-14)20(24)15-5-6-16-10-22-11-17(16)8-15/h2,5-9,14,22H,3-4,10-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 167975914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).