N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide

C20H21BrFNO — CID 2818035

IUPACN-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H21BrFNO/c21-17-8-6-15(7-9-17)14-23(19-12-10-18(22)11-13-19)20(24)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2
InChIKeyBPDLEWWOLZUHNY-UHFFFAOYSA-N
MW390.30 g/mol
LogP5.70
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide

N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide (PubChem CID 2818035) has the molecular formula C20H21BrFNO and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide
PubChem CID2818035
Molecular FormulaC20H21BrFNO
Molecular Weight390.30 g/mol
Exact Mass389.08
IUPAC NameN-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H21BrFNO/c21-17-8-6-15(7-9-17)14-23(19-12-10-18(22)11-13-19)20(24)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2
InChIKeyBPDLEWWOLZUHNY-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.30
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide (CID 2818035) is N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide?
The InChIKey is BPDLEWWOLZUHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFNO/c21-17-8-6-15(7-9-17)14-23(19-12-10-18(22)11-13-19)20(24)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide?
N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide has a molecular weight of 390.30 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 2818035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).