N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide

C24H21ClN2O2 — CID 143323712

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1=Cc2cccc3cccc1c23
InChIInChI=1S/C24H21ClN2O2/c25-22-14-19(8-7-18(22)15-27-9-11-29-12-10-27)26-24(28)21-13-17-5-1-3-16-4-2-6-20(21)23(16)17/h1-8,13-14H,9-12,15H2,(H,26,28)
InChIKeyIIJBOCOXEVCVHE-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.82
Rot. Bonds4

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide (PubChem CID 143323712) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
PubChem CID143323712
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1=Cc2cccc3cccc1c23
InChIInChI=1S/C24H21ClN2O2/c25-22-14-19(8-7-18(22)15-27-9-11-29-12-10-27)26-24(28)21-13-17-5-1-3-16-4-2-6-20(21)23(16)17/h1-8,13-14H,9-12,15H2,(H,26,28)
InChIKeyIIJBOCOXEVCVHE-UHFFFAOYSA-N
XLogP4.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide
CID 91346773
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide
CID 158229022
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110609639
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
CID 75503898
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 155949254
1-[4-[3-anilino-7-(morpholin-4-ylmethyl)-2,1-benzoxazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
CID 69410147

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide (CID 143323712) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide is O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1=Cc2cccc3cccc1c23.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide?
The InChIKey is IIJBOCOXEVCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-22-14-19(8-7-18(22)15-27-9-11-29-12-10-27)26-24(28)21-13-17-5-1-3-16-4-2-6-20(21)23(16)17/h1-8,13-14H,9-12,15H2,(H,26,28).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide is sourced from PubChem (CID 143323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).