4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C12H15ClN2O2 — CID 54950383

IUPAC4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(11(16)14-2)15-12(17)10-5-3-9(7-13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyORTZMHNAYOMUIV-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.29
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 54950383) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID54950383
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(11(16)14-2)15-12(17)10-5-3-9(7-13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyORTZMHNAYOMUIV-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.29
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-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315821
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
CID 43697039
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 54950383) is 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is ORTZMHNAYOMUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(11(16)14-2)15-12(17)10-5-3-9(7-13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.29, 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-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 54950383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).