N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide

C10H11ClN2O2 — CID 54104367

IUPACN-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C10H11ClN2O2/c1-6(9(12)14)13-10(15)7-3-2-4-8(11)5-7/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKeyNCRQXTDFCHWKFO-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.94
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide

N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide (PubChem CID 54104367) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
PubChem CID54104367
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C10H11ClN2O2/c1-6(9(12)14)13-10(15)7-3-2-4-8(11)5-7/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKeyNCRQXTDFCHWKFO-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64997142
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3-chloro-N-propan-2-ylbenzamide
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3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
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N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
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3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
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N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide (CID 54104367) is N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide is CC(NC(=O)c1cccc(Cl)c1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide?
The InChIKey is NCRQXTDFCHWKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(9(12)14)13-10(15)7-3-2-4-8(11)5-7/h2-6H,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide?
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide has a molecular weight of 226.66 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide is sourced from PubChem (CID 54104367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).