N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide

C14H18ClF2NO2 — CID 63390814

IUPACN-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18ClF2NO2/c1-10(2)18(8-4-7-15)13(19)11-5-3-6-12(9-11)20-14(16)17/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyQKFYVKLISUVOCX-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.77
Rot. Bonds7

About N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide

N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide (PubChem CID 63390814) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
PubChem CID63390814
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC NameN-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18ClF2NO2/c1-10(2)18(8-4-7-15)13(19)11-5-3-6-12(9-11)20-14(16)17/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyQKFYVKLISUVOCX-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.77
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-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095
N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide (CID 63390814) is N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide is CC(C)N(CCCCl)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide?
The InChIKey is QKFYVKLISUVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c1-10(2)18(8-4-7-15)13(19)11-5-3-6-12(9-11)20-14(16)17/h3,5-6,9-10,14H,4,7-8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide?
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide has a molecular weight of 305.75 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 63390814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).