4-chloro-3-(3-methoxybutan-2-ylamino)benzamide

C12H17ClN2O2 — CID 113481639

IUPAC4-chloro-3-(3-methoxybutan-2-ylamino)benzamide
SMILESCOC(C)C(C)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-7(8(2)17-3)15-11-6-9(12(14)16)4-5-10(11)13/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyOYRINBMYHUWMRJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide

4-chloro-3-(3-methoxybutan-2-ylamino)benzamide (PubChem CID 113481639) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(3-methoxybutan-2-ylamino)benzamide
PubChem CID113481639
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-3-(3-methoxybutan-2-ylamino)benzamide
SMILESCOC(C)C(C)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-7(8(2)17-3)15-11-6-9(12(14)16)4-5-10(11)13/h4-8,15H,1-3H3,(H2,14,16)
InChIKeyOYRINBMYHUWMRJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide?
The IUPAC name of 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide (CID 113481639) is 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide?
The canonical SMILES for 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide is COC(C)C(C)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide?
The InChIKey is OYRINBMYHUWMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7(8(2)17-3)15-11-6-9(12(14)16)4-5-10(11)13/h4-8,15H,1-3H3,(H2,14,16).
What are the key properties of 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide?
4-chloro-3-(3-methoxybutan-2-ylamino)benzamide has a molecular weight of 256.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methoxybutan-2-ylamino)benzamide is sourced from PubChem (CID 113481639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).