N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide

C22H19IN2O3 — CID 2197419

IUPACN-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1C(=O)N1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H19IN2O3/c23-16-8-9-20(19(14-16)22(27)25-10-12-28-13-11-25)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,24,26)
InChIKeyDNWBCPJSMSLVGY-UHFFFAOYSA-N
MW486.31 g/mol
LogP4.17
Rot. Bonds3

About N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide

N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide (PubChem CID 2197419) has the molecular formula C22H19IN2O3 and a molecular weight of 486.31 g/mol. Its IUPAC name is N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide
PubChem CID2197419
Molecular FormulaC22H19IN2O3
Molecular Weight486.31 g/mol
Exact Mass486.04
IUPAC NameN-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1C(=O)N1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H19IN2O3/c23-16-8-9-20(19(14-16)22(27)25-10-12-28-13-11-25)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,24,26)
InChIKeyDNWBCPJSMSLVGY-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-[4-chloro-2-(morpholin-4-ylcarbamoyl)phenyl]naphthalene-1-carboxamide;5-chloro-2-(naphthalene-1-carbonylamino)benzoic acid
CID 159427073
N-[2-(morpholine-4-carbonyl)phenyl]-3-naphthalen-1-ylpropanamide
CID 53278693
6-hydroxy-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]naphthalene-1-carboxamide
CID 167871752
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455

Frequently Asked Questions

What is the IUPAC name of N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide (CID 2197419) is N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(I)cc1C(=O)N1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is DNWBCPJSMSLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3/c23-16-8-9-20(19(14-16)22(27)25-10-12-28-13-11-25)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,24,26).
What are the key properties of N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide?
N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 486.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2197419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).