N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride

C12H15Cl2N3O3 — CID 119711589

IUPACN-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(NC(=O)C2CNCCO2)ccc1Cl
InChIInChI=1S/C12H14ClN3O3.ClH/c13-9-2-1-7(5-8(9)11(14)17)16-12(18)10-6-15-3-4-19-10;/h1-2,5,10,15H,3-4,6H2,(H2,14,17)(H,16,18);1H
InChIKeyBCTBXEPVPBJFMG-UHFFFAOYSA-N
MW320.18 g/mol
LogP0.79
Rot. Bonds3

About N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride

N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119711589) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119711589
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC NameN-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(NC(=O)C2CNCCO2)ccc1Cl
InChIInChI=1S/C12H14ClN3O3.ClH/c13-9-2-1-7(5-8(9)11(14)17)16-12(18)10-6-15-3-4-19-10;/h1-2,5,10,15H,3-4,6H2,(H2,14,17)(H,16,18);1H
InChIKeyBCTBXEPVPBJFMG-UHFFFAOYSA-N
XLogP0.79
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(2-amino-2-oxoethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119709306
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119767367
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119760659
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119743095
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride (CID 119711589) is N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride is Cl.NC(=O)c1cc(NC(=O)C2CNCCO2)ccc1Cl.
What is the InChIKey of N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is BCTBXEPVPBJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3.ClH/c13-9-2-1-7(5-8(9)11(14)17)16-12(18)10-6-15-3-4-19-10;/h1-2,5,10,15H,3-4,6H2,(H2,14,17)(H,16,18);1H.
What are the key properties of N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride?
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 320.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119711589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).