3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide

C19H21BrN2O2 — CID 119798242

IUPAC3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1
InChIInChI=1S/C19H21BrN2O2/c20-17-11-16(22-19(23)14-6-7-15(21)10-14)8-9-18(17)24-12-13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10,12,21H2,(H,22,23)
InChIKeyNRQFOYGXYPRUTI-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.09
Rot. Bonds5

About 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide

3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 119798242) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID119798242
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1
InChIInChI=1S/C19H21BrN2O2/c20-17-11-16(22-19(23)14-6-7-15(21)10-14)8-9-18(17)24-12-13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10,12,21H2,(H,22,23)
InChIKeyNRQFOYGXYPRUTI-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide (CID 119798242) is 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1.
What is the InChIKey of 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is NRQFOYGXYPRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-17-11-16(22-19(23)14-6-7-15(21)10-14)8-9-18(17)24-12-13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10,12,21H2,(H,22,23).
What are the key properties of 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide?
3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119798242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).