N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide

C18H18ClF3N2O2 — CID 18274343

IUPACN-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(Cl)c1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O2/c1-11(17(25)23-13-5-8-16(20)15(19)9-13)24(2)10-12-3-6-14(7-4-12)26-18(21)22/h3-9,11,18H,10H2,1-2H3,(H,23,25)
InChIKeyCAGONPVAGGTSGP-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.54
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide

N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide (PubChem CID 18274343) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
PubChem CID18274343
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(Cl)c1)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O2/c1-11(17(25)23-13-5-8-16(20)15(19)9-13)24(2)10-12-3-6-14(7-4-12)26-18(21)22/h3-9,11,18H,10H2,1-2H3,(H,23,25)
InChIKeyCAGONPVAGGTSGP-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953359
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide (CID 18274343) is N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide is CC(C(=O)Nc1ccc(F)c(Cl)c1)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The InChIKey is CAGONPVAGGTSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-11(17(25)23-13-5-8-16(20)15(19)9-13)24(2)10-12-3-6-14(7-4-12)26-18(21)22/h3-9,11,18H,10H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide has a molecular weight of 386.80 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide is sourced from PubChem (CID 18274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).