4-[[(2S)-2-chloropropanoyl]amino]benzamide

C10H11ClN2O2 — CID 2118148

IUPAC4-[[(2S)-2-chloropropanoyl]amino]benzamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H11ClN2O2/c1-6(11)10(15)13-8-4-2-7(3-5-8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)/t6-/m0/s1
InChIKeyIQXHRSUFQPFFIK-LURJTMIESA-N
MW226.66 g/mol
LogP1.35
Rot. Bonds3

About 4-[[(2S)-2-chloropropanoyl]amino]benzamide

4-[[(2S)-2-chloropropanoyl]amino]benzamide (PubChem CID 2118148) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-[[(2S)-2-chloropropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-chloropropanoyl]amino]benzamide
PubChem CID2118148
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-[[(2S)-2-chloropropanoyl]amino]benzamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H11ClN2O2/c1-6(11)10(15)13-8-4-2-7(3-5-8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)/t6-/m0/s1
InChIKeyIQXHRSUFQPFFIK-LURJTMIESA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.35
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

N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860591
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-chloropropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-chloropropanoyl]amino]benzamide (CID 2118148) is 4-[[(2S)-2-chloropropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-chloropropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-chloropropanoyl]amino]benzamide is C[C@H](Cl)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-chloropropanoyl]amino]benzamide?
The InChIKey is IQXHRSUFQPFFIK-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(11)10(15)13-8-4-2-7(3-5-8)9(12)14/h2-6H,1H3,(H2,12,14)(H,13,15)/t6-/m0/s1.
What are the key properties of 4-[[(2S)-2-chloropropanoyl]amino]benzamide?
4-[[(2S)-2-chloropropanoyl]amino]benzamide has a molecular weight of 226.66 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-chloropropanoyl]amino]benzamide is sourced from PubChem (CID 2118148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).