2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide

C18H19ClN2O2 — CID 110637279

IUPAC2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCO1
InChIInChI=1S/C18H19ClN2O2/c1-13-12-21(10-11-23-13)15-8-6-14(7-9-15)20-18(22)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyIXBRKAXSXUTQGM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide

2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide (PubChem CID 110637279) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
PubChem CID110637279
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCO1
InChIInChI=1S/C18H19ClN2O2/c1-13-12-21(10-11-23-13)15-8-6-14(7-9-15)20-18(22)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyIXBRKAXSXUTQGM-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1252414
N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110637302
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide (CID 110637279) is 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide is CC1CN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CCO1.
What is the InChIKey of 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
The InChIKey is IXBRKAXSXUTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-12-21(10-11-23-13)15-8-6-14(7-9-15)20-18(22)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide is sourced from PubChem (CID 110637279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).