N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide

C32H37FN2O — CID 91479000

IUPACN-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)C1CCc2cc(CC3CCCCC3)ccc2C1CN
InChIInChI=1S/C32H37FN2O/c1-35(32(36)26-10-8-24(9-11-26)25-12-15-28(33)16-13-25)31-18-14-27-20-23(7-17-29(27)30(31)21-34)19-22-5-3-2-4-6-22/h7-13,15-17,20,22,30-31H,2-6,14,18-19,21,34H2,1H3
InChIKeyKFUIANIUKPEIEI-UHFFFAOYSA-N
MW484.66 g/mol
LogP6.74
Rot. Bonds6

About N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide

N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 91479000) has the molecular formula C32H37FN2O and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
PubChem CID91479000
Molecular FormulaC32H37FN2O
Molecular Weight484.66 g/mol
Exact Mass484.29
IUPAC NameN-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)C1CCc2cc(CC3CCCCC3)ccc2C1CN
InChIInChI=1S/C32H37FN2O/c1-35(32(36)26-10-8-24(9-11-26)25-12-15-28(33)16-13-25)31-18-14-27-20-23(7-17-29(27)30(31)21-34)19-22-5-3-2-4-6-22/h7-13,15-17,20,22,30-31H,2-6,14,18-19,21,34H2,1H3
InChIKeyKFUIANIUKPEIEI-UHFFFAOYSA-N
XLogP6.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.66
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide (CID 91479000) is N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)C1CCc2cc(CC3CCCCC3)ccc2C1CN.
What is the InChIKey of N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is KFUIANIUKPEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O/c1-35(32(36)26-10-8-24(9-11-26)25-12-15-28(33)16-13-25)31-18-14-27-20-23(7-17-29(27)30(31)21-34)19-22-5-3-2-4-6-22/h7-13,15-17,20,22,30-31H,2-6,14,18-19,21,34H2,1H3.
What are the key properties of N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide?
N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 484.66 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 91479000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).