4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide

C11H14BrNO2 — CID 15608280

IUPAC4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(14)7-13-11(15)10-4-2-9(6-12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyBPMDNVPUGZZWLN-MRVPVSSYSA-N
MW272.14 g/mol
LogP1.69
Rot. Bonds4

About 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide

4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 15608280) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID15608280
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(14)7-13-11(15)10-4-2-9(6-12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyBPMDNVPUGZZWLN-MRVPVSSYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide (CID 15608280) is 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is BPMDNVPUGZZWLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(14)7-13-11(15)10-4-2-9(6-12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide?
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 272.14 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 15608280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).