N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide

C13H16ClF2NO2 — CID 113273535

IUPACN-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCC(C)C(CCl)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H16ClF2NO2/c1-8(2)10(7-14)17-12(18)9-5-3-4-6-11(9)19-13(15)16/h3-6,8,10,13H,7H2,1-2H3,(H,17,18)
InChIKeyUCMWWDWFGPNGBU-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.28
Rot. Bonds6

About N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide

N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide (PubChem CID 113273535) has the molecular formula C13H16ClF2NO2 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
PubChem CID113273535
Molecular FormulaC13H16ClF2NO2
Molecular Weight291.73 g/mol
Exact Mass291.08
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCC(C)C(CCl)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H16ClF2NO2/c1-8(2)10(7-14)17-12(18)9-5-3-4-6-11(9)19-13(15)16/h3-6,8,10,13H,7H2,1-2H3,(H,17,18)
InChIKeyUCMWWDWFGPNGBU-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide (CID 113273535) is N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide is CC(C)C(CCl)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is UCMWWDWFGPNGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2/c1-8(2)10(7-14)17-12(18)9-5-3-4-6-11(9)19-13(15)16/h3-6,8,10,13H,7H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide?
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 291.73 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 113273535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).