1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

C28H32F2N2O2 — CID 134013706

IUPAC1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(C1CCC(C(=O)N(Cc2ccccc2F)C2CC2)CC1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C28H32F2N2O2/c29-25-7-3-1-5-21(25)17-31(23-13-14-23)27(33)19-9-11-20(12-10-19)28(34)32(24-15-16-24)18-22-6-2-4-8-26(22)30/h1-8,19-20,23-24H,9-18H2
InChIKeyBUYZDTPAIZEGLM-UHFFFAOYSA-N
MW466.57 g/mol
LogP5.45
Rot. Bonds8

About 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 134013706) has the molecular formula C28H32F2N2O2 and a molecular weight of 466.57 g/mol. Its IUPAC name is 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID134013706
Molecular FormulaC28H32F2N2O2
Molecular Weight466.57 g/mol
Exact Mass466.24
IUPAC Name1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(C1CCC(C(=O)N(Cc2ccccc2F)C2CC2)CC1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C28H32F2N2O2/c29-25-7-3-1-5-21(25)17-31(23-13-14-23)27(33)19-9-11-20(12-10-19)28(34)32(24-15-16-24)18-22-6-2-4-8-26(22)30/h1-8,19-20,23-24H,9-18H2
InChIKeyBUYZDTPAIZEGLM-UHFFFAOYSA-N
XLogP5.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 134003179
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide
CID 146105629
3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 126801006
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 134013706) is 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is O=C(C1CCC(C(=O)N(Cc2ccccc2F)C2CC2)CC1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is BUYZDTPAIZEGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N2O2/c29-25-7-3-1-5-21(25)17-31(23-13-14-23)27(33)19-9-11-20(12-10-19)28(34)32(24-15-16-24)18-22-6-2-4-8-26(22)30/h1-8,19-20,23-24H,9-18H2.
What are the key properties of 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 466.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 134013706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).