4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide

C16H23ClN2O3 — CID 17257104

IUPAC4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-5-7-19(8-6-2)16(21)12-9-13(17)14(18-11(3)20)10-15(12)22-4/h9-10H,5-8H2,1-4H3,(H,18,20)
InChIKeyAOUZLUXUZVIIBZ-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.57
Rot. Bonds7

About 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide

4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide (PubChem CID 17257104) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
PubChem CID17257104
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-5-7-19(8-6-2)16(21)12-9-13(17)14(18-11(3)20)10-15(12)22-4/h9-10H,5-8H2,1-4H3,(H,18,20)
InChIKeyAOUZLUXUZVIIBZ-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
4-acetamido-5-chloro-2-methoxy-N-(3-oxoprop-1-en-2-yl)benzamide
CID 10613903
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
CID 162343437
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
5-chloro-2-methoxy-4-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618222
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
5-chloro-2-methoxy-4-(pentylcarbamoylamino)benzoic acid
CID 61182726

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide (CID 17257104) is 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(Cl)c(NC(C)=O)cc1OC.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide?
The InChIKey is AOUZLUXUZVIIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-5-7-19(8-6-2)16(21)12-9-13(17)14(18-11(3)20)10-15(12)22-4/h9-10H,5-8H2,1-4H3,(H,18,20).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide?
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide has a molecular weight of 326.82 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 17257104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).