3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide

C10H12ClN3O2 — CID 43545232

IUPAC3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)c(N)c1)C(N)=O
InChIInChI=1S/C10H12ClN3O2/c1-5(9(13)15)14-10(16)6-2-3-7(11)8(12)4-6/h2-5H,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLBLJGIHOCFFILO-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide

3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide (PubChem CID 43545232) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
PubChem CID43545232
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)c(N)c1)C(N)=O
InChIInChI=1S/C10H12ClN3O2/c1-5(9(13)15)14-10(16)6-2-3-7(11)8(12)4-6/h2-5H,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLBLJGIHOCFFILO-UHFFFAOYSA-N
XLogP0.53
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
(2S)-2-[(3-amino-4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61174170
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
4-amino-N-(1-amino-1-oxopropan-2-yl)-3-nitrobenzamide
CID 60698727

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide?
The IUPAC name of 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide (CID 43545232) is 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)c(N)c1)C(N)=O.
What is the InChIKey of 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide?
The InChIKey is LBLJGIHOCFFILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-5(9(13)15)14-10(16)6-2-3-7(11)8(12)4-6/h2-5H,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide?
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide has a molecular weight of 241.68 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 43545232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).