2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide

C14H18ClFN2O2 — CID 117045049

IUPAC2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
SMILESCc1cc(Cl)c(C(=O)N(C)CC2CNCCO2)cc1F
InChIInChI=1S/C14H18ClFN2O2/c1-9-5-12(15)11(6-13(9)16)14(19)18(2)8-10-7-17-3-4-20-10/h5-6,10,17H,3-4,7-8H2,1-2H3
InChIKeyIHGRQNFWJHKOBP-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.85
Rot. Bonds3

About 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide

2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 117045049) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
PubChem CID117045049
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
SMILESCc1cc(Cl)c(C(=O)N(C)CC2CNCCO2)cc1F
InChIInChI=1S/C14H18ClFN2O2/c1-9-5-12(15)11(6-13(9)16)14(19)18(2)8-10-7-17-3-4-20-10/h5-6,10,17H,3-4,7-8H2,1-2H3
InChIKeyIHGRQNFWJHKOBP-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017
2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide
CID 107963714
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
CID 116927908
5-fluoro-N-methyl-N-(morpholin-2-ylmethyl)pyridine-3-carboxamide
CID 104786261
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea
CID 107654250
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide (CID 117045049) is 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide is Cc1cc(Cl)c(C(=O)N(C)CC2CNCCO2)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is IHGRQNFWJHKOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9-5-12(15)11(6-13(9)16)14(19)18(2)8-10-7-17-3-4-20-10/h5-6,10,17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide?
2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 300.76 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 117045049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).