N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide

C18H25ClFN3O2 — CID 18152189

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C18H25ClFN3O2/c1-23(12-14-15(19)8-5-9-16(14)20)17(24)10-11-21-18(25)22-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3,(H2,21,22,25)
InChIKeyULRWOICUUNDVTB-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.46
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide (PubChem CID 18152189) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
PubChem CID18152189
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C18H25ClFN3O2/c1-23(12-14-15(19)8-5-9-16(14)20)17(24)10-11-21-18(25)22-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3,(H2,21,22,25)
InChIKeyULRWOICUUNDVTB-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919099
3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 18146673
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18146723
3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
N-[2-(2-chlorophenoxy)ethyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 18167231

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide (CID 18152189) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide?
The InChIKey is ULRWOICUUNDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3O2/c1-23(12-14-15(19)8-5-9-16(14)20)17(24)10-11-21-18(25)22-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3,(H2,21,22,25).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide has a molecular weight of 369.87 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide is sourced from PubChem (CID 18152189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).