4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide

C11H14ClNO2 — CID 61251276

IUPAC4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(7-14)13-11(15)10-4-2-9(6-12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyDGOPDHKTEGPTPU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.54
Rot. Bonds4

About 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide

4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 61251276) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID61251276
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(7-14)13-11(15)10-4-2-9(6-12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyDGOPDHKTEGPTPU-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.54
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-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950383
4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
CID 43697039
4-ethynyl-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 101217626
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
N-(1-chloropropan-2-yl)benzamide
CID 3683093
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide (CID 61251276) is 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is DGOPDHKTEGPTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(7-14)13-11(15)10-4-2-9(6-12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide?
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 227.69 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 61251276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).