N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide

C16H24ClNO2 — CID 63390980

IUPACN-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CCCCl)C(C)C)cc1
InChIInChI=1S/C16H24ClNO2/c1-12(2)18(11-5-10-17)16(19)14-6-8-15(9-7-14)20-13(3)4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyLALDJGAKNFFHSR-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.95
Rot. Bonds7

About N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide

N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide (PubChem CID 63390980) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
PubChem CID63390980
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(CCCCl)C(C)C)cc1
InChIInChI=1S/C16H24ClNO2/c1-12(2)18(11-5-10-17)16(19)14-6-8-15(9-7-14)20-13(3)4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyLALDJGAKNFFHSR-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 63390738
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 63394289
N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
CID 63393513
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide (CID 63390980) is N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(CCCCl)C(C)C)cc1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide?
The InChIKey is LALDJGAKNFFHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12(2)18(11-5-10-17)16(19)14-6-8-15(9-7-14)20-13(3)4/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide?
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide has a molecular weight of 297.83 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 63390980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).