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

C13H17ClN2O3 — CID 103110763

IUPAC3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-4-16(3)13(19)8(2)15-12(18)9-5-6-11(17)10(14)7-9/h5-8,17H,4H2,1-3H3,(H,15,18)
InChIKeySITXSCSUFLXAMH-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.64
Rot. Bonds4

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

3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide (PubChem CID 103110763) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
PubChem CID103110763
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-4-16(3)13(19)8(2)15-12(18)9-5-6-11(17)10(14)7-9/h5-8,17H,4H2,1-3H3,(H,15,18)
InChIKeySITXSCSUFLXAMH-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 103110784
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 103110775
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
CID 75390611
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide (CID 103110763) is 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide is CCN(C)C(=O)C(C)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide?
The InChIKey is SITXSCSUFLXAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-4-16(3)13(19)8(2)15-12(18)9-5-6-11(17)10(14)7-9/h5-8,17H,4H2,1-3H3,(H,15,18).
What are the key properties of 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide?
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide has a molecular weight of 284.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide is sourced from PubChem (CID 103110763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).