N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide

C26H21ClN2O4 — CID 1253836

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C26H21ClN2O4/c27-22-16-20(8-9-23(22)29-10-12-32-13-11-29)28-25(30)19-6-3-5-17(14-19)21-15-18-4-1-2-7-24(18)33-26(21)31/h1-9,14-16H,10-13H2,(H,28,30)
InChIKeyJORBZYASNLBUIB-UHFFFAOYSA-N
MW460.92 g/mol
LogP5.20
Rot. Bonds4

About N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide

N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 1253836) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID1253836
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C26H21ClN2O4/c27-22-16-20(8-9-23(22)29-10-12-32-13-11-29)28-25(30)19-6-3-5-17(14-19)21-15-18-4-1-2-7-24(18)33-26(21)31/h1-9,14-16H,10-13H2,(H,28,30)
InChIKeyJORBZYASNLBUIB-UHFFFAOYSA-N
XLogP5.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3909599
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 5114053
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
4-morpholin-4-yl-3-nitro-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 2969309
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3645617
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
3-(2-oxochromen-3-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4269042
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 17319362
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
3-(2-oxochromen-3-yl)-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 4038704

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide (CID 1253836) is N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is JORBZYASNLBUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c27-22-16-20(8-9-23(22)29-10-12-32-13-11-29)28-25(30)19-6-3-5-17(14-19)21-15-18-4-1-2-7-24(18)33-26(21)31/h1-9,14-16H,10-13H2,(H,28,30).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 460.92 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 1253836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).