N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide

C14H16BrN3O2 — CID 110191923

IUPACN-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Br)cc2)C(C#N)C(C)O1
InChIInChI=1S/C14H16BrN3O2/c1-9-8-18(13(7-16)10(2)20-9)14(19)17-12-5-3-11(15)4-6-12/h3-6,9-10,13H,8H2,1-2H3,(H,17,19)
InChIKeyKOCGFRGNFMLFCP-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.98
Rot. Bonds1

About N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide

N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 110191923) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide
PubChem CID110191923
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Br)cc2)C(C#N)C(C)O1
InChIInChI=1S/C14H16BrN3O2/c1-9-8-18(13(7-16)10(2)20-9)14(19)17-12-5-3-11(15)4-6-12/h3-6,9-10,13H,8H2,1-2H3,(H,17,19)
InChIKeyKOCGFRGNFMLFCP-UHFFFAOYSA-N
XLogP2.98
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
4-(4-Bromophenylcarbamoyl)morpholine
CID 853766
N-(4-bromophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2928839
AG-690/08661048
CID 2876780
1-(4-Bromophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 6468112
1-(4-Bromophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783216
N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1094961
3-(4-bromophenyl)-6-morpholinopyrimidine-2,4(1H,3H)-dione
CID 4383512
N-(4-bromophenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 6467005
[4-(4-Bromophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 73671439
N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide
CID 2956092
N-(4-bromophenyl)-3-hydroxypiperidine-1-carboxamide
CID 16193808

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide (CID 110191923) is N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2ccc(Br)cc2)C(C#N)C(C)O1.
What is the InChIKey of N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is KOCGFRGNFMLFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-8-18(13(7-16)10(2)20-9)14(19)17-12-5-3-11(15)4-6-12/h3-6,9-10,13H,8H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide?
N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-cyano-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110191923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).