N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide

C14H19BrN2O2 — CID 106130097

IUPACN-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
SMILESO=C(CNCC1CCC(O)C1)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)17-14(19)9-16-8-10-5-6-11(18)7-10/h1-4,10-11,16,18H,5-9H2,(H,17,19)
InChIKeyPHXODPQFSNDIPT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.14
Rot. Bonds5

About N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide

N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide (PubChem CID 106130097) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
PubChem CID106130097
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
SMILESO=C(CNCC1CCC(O)C1)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)17-14(19)9-16-8-10-5-6-11(18)7-10/h1-4,10-11,16,18H,5-9H2,(H,17,19)
InChIKeyPHXODPQFSNDIPT-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418229
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60921067
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106129889
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-[(3-methylcyclopentyl)methylamino]-N-(2-methylphenyl)acetamide
CID 107412858
N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116145
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911
N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide
CID 102672827
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide (CID 106130097) is N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide is O=C(CNCC1CCC(O)C1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
The InChIKey is PHXODPQFSNDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-3-1-2-4-13(12)17-14(19)9-16-8-10-5-6-11(18)7-10/h1-4,10-11,16,18H,5-9H2,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide?
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide is sourced from PubChem (CID 106130097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).