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

C13H18ClN3O2 — CID 103106417

IUPAC3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H18ClN3O2/c1-4-17(3)13(19)8(2)16-12(18)9-5-6-10(14)11(15)7-9/h5-8H,4,15H2,1-3H3,(H,16,18)
InChIKeyWAQZBYPWLCPMSH-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.52
Rot. Bonds4

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

3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 103106417) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID103106417
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H18ClN3O2/c1-4-17(3)13(19)8(2)16-12(18)9-5-6-10(14)11(15)7-9/h5-8H,4,15H2,1-3H3,(H,16,18)
InChIKeyWAQZBYPWLCPMSH-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
(2S)-2-[(3-amino-4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61174170
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
3-amino-4-chloro-N',N'-dimethylbenzohydrazide
CID 83012713
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide (CID 103106417) is 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide is CCN(C)C(=O)C(C)NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WAQZBYPWLCPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-17(3)13(19)8(2)16-12(18)9-5-6-10(14)11(15)7-9/h5-8H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103106417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).