3-[[(2-chloroacetyl)amino]methyl]benzamide

C10H11ClN2O2 — CID 61251496

IUPAC3-[[(2-chloroacetyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)CCl)c1
InChIInChI=1S/C10H11ClN2O2/c11-5-9(14)13-6-7-2-1-3-8(4-7)10(12)15/h1-4H,5-6H2,(H2,12,15)(H,13,14)
InChIKeyREVPIEBLKZMCBR-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.64
Rot. Bonds4

About 3-[[(2-chloroacetyl)amino]methyl]benzamide

3-[[(2-chloroacetyl)amino]methyl]benzamide (PubChem CID 61251496) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-[[(2-chloroacetyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-chloroacetyl)amino]methyl]benzamide
PubChem CID61251496
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-[[(2-chloroacetyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)CCl)c1
InChIInChI=1S/C10H11ClN2O2/c11-5-9(14)13-6-7-2-1-3-8(4-7)10(12)15/h1-4H,5-6H2,(H2,12,15)(H,13,14)
InChIKeyREVPIEBLKZMCBR-UHFFFAOYSA-N
XLogP0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.64
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

3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934225
3-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide
CID 33094692
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
CID 119287433
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloroacetyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(2-chloroacetyl)amino]methyl]benzamide (CID 61251496) is 3-[[(2-chloroacetyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-chloroacetyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(2-chloroacetyl)amino]methyl]benzamide is NC(=O)c1cccc(CNC(=O)CCl)c1.
What is the InChIKey of 3-[[(2-chloroacetyl)amino]methyl]benzamide?
The InChIKey is REVPIEBLKZMCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-5-9(14)13-6-7-2-1-3-8(4-7)10(12)15/h1-4H,5-6H2,(H2,12,15)(H,13,14).
What are the key properties of 3-[[(2-chloroacetyl)amino]methyl]benzamide?
3-[[(2-chloroacetyl)amino]methyl]benzamide has a molecular weight of 226.66 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloroacetyl)amino]methyl]benzamide is sourced from PubChem (CID 61251496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).