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

C16H24ClNO2 — CID 63390738

IUPACN-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)N(CCCCl)C(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-12(2)18(10-6-9-17)16(19)14-7-5-8-15(11-14)20-13(3)4/h5,7-8,11-13H,6,9-10H2,1-4H3
InChIKeyJCTVQZJRSGZJQK-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.95
Rot. Bonds7

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

N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide (PubChem CID 63390738) 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-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
PubChem CID63390738
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)N(CCCCl)C(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-12(2)18(10-6-9-17)16(19)14-7-5-8-15(11-14)20-13(3)4/h5,7-8,11-13H,6,9-10H2,1-4H3
InChIKeyJCTVQZJRSGZJQK-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)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 77044882
N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095
N-(2-chloroethyl)-3-methylsulfonyl-N-propan-2-ylbenzamide
CID 63393933
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide (CID 63390738) is N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)N(CCCCl)C(C)C)c1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide?
The InChIKey is JCTVQZJRSGZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12(2)18(10-6-9-17)16(19)14-7-5-8-15(11-14)20-13(3)4/h5,7-8,11-13H,6,9-10H2,1-4H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide?
N-(3-chloropropyl)-N-propan-2-yl-3-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-3-propan-2-yloxybenzamide is sourced from PubChem (CID 63390738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).