N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride

C13H18Cl2N2O3 — CID 119808070

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2COCCN2)cc1Cl.Cl
InChIInChI=1S/C13H17ClN2O3.ClH/c1-18-12-3-2-9(6-10(12)14)7-16-13(17)11-8-19-5-4-15-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17);1H
InChIKeyUAAXQVZIGOCAFK-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.38
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride

N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119808070) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119808070
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2COCCN2)cc1Cl.Cl
InChIInChI=1S/C13H17ClN2O3.ClH/c1-18-12-3-2-9(6-10(12)14)7-16-13(17)11-8-19-5-4-15-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17);1H
InChIKeyUAAXQVZIGOCAFK-UHFFFAOYSA-N
XLogP1.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119720719
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]morpholine-3-carboxamide
CID 119763446
N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119800989
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 119808070) is N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2COCCN2)cc1Cl.Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is UAAXQVZIGOCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3.ClH/c1-18-12-3-2-9(6-10(12)14)7-16-13(17)11-8-19-5-4-15-11;/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17);1H.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 321.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119808070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).