3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H14ClN3O2 — CID 54950805

IUPAC3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H14ClN3O2/c1-6(10(16)14-2)15-11(17)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAWMWDIBMGYBZBI-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 54950805) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID54950805
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H14ClN3O2/c1-6(10(16)14-2)15-11(17)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAWMWDIBMGYBZBI-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.79
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-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
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-(1-cyclopropylethyl)benzamide
CID 43533105
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 82780779
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
(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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 54950805) is 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is AWMWDIBMGYBZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-6(10(16)14-2)15-11(17)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 255.71 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 54950805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).