N-propylbenzamide

C10H13NO — CID 25354

IUPACN-propylbenzamide
SMILESCCCNC(=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
InChIKeyDYZWXBMTHNHXML-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.83
Rot. Bonds3

About N-propylbenzamide

N-propylbenzamide (PubChem CID 25354) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-propylbenzamide.

Molecular Properties

Compound NameN-propylbenzamide
PubChem CID25354
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-propylbenzamide
SMILESCCCNC(=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
InChIKeyDYZWXBMTHNHXML-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 464
Procarbazine
CID 4915
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CID 4284
Procarbazine Hydrochloride
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Betamipron
CID 71651
N-Methylbenzamide
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N,N-Diethylbenzamide
CID 15542
1(2H)-Isoquinolinone
CID 10284
Phthalimidine
CID 10199
2-Methylhippuric Acid
CID 91637
Melinamide
CID 20054967
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CID 4223812

Frequently Asked Questions

What is the IUPAC name of N-propylbenzamide?
The IUPAC name of N-propylbenzamide (CID 25354) is N-propylbenzamide.
What is the SMILES notation for N-propylbenzamide?
The canonical SMILES for N-propylbenzamide is CCCNC(=O)c1ccccc1.
What is the InChIKey of N-propylbenzamide?
The InChIKey is DYZWXBMTHNHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12).
What are the key properties of N-propylbenzamide?
N-propylbenzamide has a molecular weight of 163.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylbenzamide is sourced from PubChem (CID 25354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).