5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

C14H19BrN2O2 — CID 115357739

IUPAC5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-4-3-10(16)7-11(12)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeyHVTYJNMFCXKYHY-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.31
Rot. Bonds4

About 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 115357739) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
PubChem CID115357739
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-4-3-10(16)7-11(12)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeyHVTYJNMFCXKYHY-UHFFFAOYSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
1-[[(5-amino-2-bromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445974
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 107185637
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
5-amino-2-bromo-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313078
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
CID 115357766

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (CID 115357739) is 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is Nc1ccc(Br)c(C(=O)NCC2(CO)CCCC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is HVTYJNMFCXKYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-4-3-10(16)7-11(12)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19).
What are the key properties of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 115357739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).