N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide

C16H15ClF2N2O2 — CID 46458023

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15ClF2N2O2/c1-21(2)14-12(17)4-3-5-13(14)20-15(22)10-6-8-11(9-7-10)23-16(18)19/h3-9,16H,1-2H3,(H,20,22)
InChIKeyQWIQQFJWJMKREA-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.26
Rot. Bonds5

About N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide

N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide (PubChem CID 46458023) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
PubChem CID46458023
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15ClF2N2O2/c1-21(2)14-12(17)4-3-5-13(14)20-15(22)10-6-8-11(9-7-10)23-16(18)19/h3-9,16H,1-2H3,(H,20,22)
InChIKeyQWIQQFJWJMKREA-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
2-[[4-(difluoromethoxy)benzoyl]amino]-N-ethylbenzamide
CID 35302926
4-[[4-(difluoromethoxy)benzoyl]amino]-N-naphthalen-1-ylbenzamide
CID 1363649

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide (CID 46458023) is N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide is CN(C)c1c(Cl)cccc1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide?
The InChIKey is QWIQQFJWJMKREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-21(2)14-12(17)4-3-5-13(14)20-15(22)10-6-8-11(9-7-10)23-16(18)19/h3-9,16H,1-2H3,(H,20,22).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide has a molecular weight of 340.76 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 46458023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).