4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide

C15H20ClN3O2 — CID 114853087

IUPAC4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H20ClN3O2/c16-11-1-4-13(10(7-11)8-18-12-2-3-12)19-5-6-21-9-14(19)15(17)20/h1,4,7,12,14,18H,2-3,5-6,8-9H2,(H2,17,20)
InChIKeyRIHJGJZLRRCGDR-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.28
Rot. Bonds5

About 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide

4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide (PubChem CID 114853087) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide
PubChem CID114853087
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H20ClN3O2/c16-11-1-4-13(10(7-11)8-18-12-2-3-12)19-5-6-21-9-14(19)15(17)20/h1,4,7,12,14,18H,2-3,5-6,8-9H2,(H2,17,20)
InChIKeyRIHJGJZLRRCGDR-UHFFFAOYSA-N
XLogP1.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098536
4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096413
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
4-(2-carbamothioyl-4-chlorophenyl)-N-methylmorpholine-3-carboxamide
CID 83098502
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
CID 83098525
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114851568

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide (CID 114853087) is 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide is NC(=O)C1COCCN1c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide?
The InChIKey is RIHJGJZLRRCGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-11-1-4-13(10(7-11)8-18-12-2-3-12)19-5-6-21-9-14(19)15(17)20/h1,4,7,12,14,18H,2-3,5-6,8-9H2,(H2,17,20).
What are the key properties of 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide?
4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 114853087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).