N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide

C18H25FN2O2 — CID 129478726

IUPACN-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
SMILESCc1ccc(F)c(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)c1
InChIInChI=1S/C18H25FN2O2/c1-13-3-6-17(19)16(9-13)18(22)21(10-14-4-5-14)12-15-11-20(2)7-8-23-15/h3,6,9,14-15H,4-5,7-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyXPULLCPTCKLBCB-OAHLLOKOSA-N
MW320.41 g/mol
LogP2.32
Rot. Bonds5

About N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide

N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide (PubChem CID 129478726) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
PubChem CID129478726
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
SMILESCc1ccc(F)c(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)c1
InChIInChI=1S/C18H25FN2O2/c1-13-3-6-17(19)16(9-13)18(22)21(10-14-4-5-14)12-15-11-20(2)7-8-23-15/h3,6,9,14-15H,4-5,7-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyXPULLCPTCKLBCB-OAHLLOKOSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
CID 129478828
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 129003814
N-(cyclopropylmethyl)-5-ethyl-3-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]furan-2-carboxamide
CID 129332923
N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 129331504
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide (CID 129478726) is N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide is Cc1ccc(F)c(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
The InChIKey is XPULLCPTCKLBCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-3-6-17(19)16(9-13)18(22)21(10-14-4-5-14)12-15-11-20(2)7-8-23-15/h3,6,9,14-15H,4-5,7-8,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide has a molecular weight of 320.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 129478726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).