N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

C18H20ClFN2O2 — CID 51168197

IUPACN-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H20ClFN2O2/c1-12(18(23)21-17-9-6-14(20)10-16(17)19)22(2)11-13-4-7-15(24-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyBEIRUNPXSUCBOP-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.95
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide

N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 51168197) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID51168197
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H20ClFN2O2/c1-12(18(23)21-17-9-6-14(20)10-16(17)19)22(2)11-13-4-7-15(24-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyBEIRUNPXSUCBOP-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8515292
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471
N-(2-chloro-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168198
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 55316500
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646070
N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51171449

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide (CID 51168197) is N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)C(C)C(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is BEIRUNPXSUCBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12(18(23)21-17-9-6-14(20)10-16(17)19)22(2)11-13-4-7-15(24-3)8-5-13/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide?
N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 350.82 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 51168197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).