2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide

C12H17ClN2O2 — CID 64602381

IUPAC2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-8(5-6-17-2)15-12(16)10-7-9(13)3-4-11(10)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDWGLGQRTQGAROP-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.08
Rot. Bonds5

About 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide

2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 64602381) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
PubChem CID64602381
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-8(5-6-17-2)15-12(16)10-7-9(13)3-4-11(10)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDWGLGQRTQGAROP-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.08
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

2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
CID 114211333
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
6-amino-N-(4-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543193

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide (CID 64602381) is 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is DWGLGQRTQGAROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(5-6-17-2)15-12(16)10-7-9(13)3-4-11(10)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide?
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 64602381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).