N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide

C19H20BrNO — CID 53446228

IUPACN-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(Cc1ccc(Br)cc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20BrNO/c20-18-10-8-16(9-11-18)14-21(15-22)19(12-4-5-13-19)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2
InChIKeyCILMYQKUKBUVLA-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.88
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide

N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446228) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide
PubChem CID53446228
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC NameN-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(Cc1ccc(Br)cc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20BrNO/c20-18-10-8-16(9-11-18)14-21(15-22)19(12-4-5-13-19)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2
InChIKeyCILMYQKUKBUVLA-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide (CID 53446228) is N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide is O=CN(Cc1ccc(Br)cc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide?
The InChIKey is CILMYQKUKBUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c20-18-10-8-16(9-11-18)14-21(15-22)19(12-4-5-13-19)17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide?
N-[(4-bromophenyl)methyl]-N-(1-phenylcyclopentyl)formamide has a molecular weight of 358.28 g/mol, XLogP of 4.88, 5 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-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).