N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide

C22H14ClNO3 — CID 3356833

IUPACN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H14ClNO3/c23-19-13-16(24-21(25)14-6-2-1-3-7-14)10-11-17(19)18-12-15-8-4-5-9-20(15)27-22(18)26/h1-13H,(H,24,25)
InChIKeyFEECDKLOKHFIBV-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.37
Rot. Bonds3

About N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide

N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 3356833) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID3356833
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC NameN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H14ClNO3/c23-19-13-16(24-21(25)14-6-2-1-3-7-14)10-11-17(19)18-12-15-8-4-5-9-20(15)27-22(18)26/h1-13H,(H,24,25)
InChIKeyFEECDKLOKHFIBV-UHFFFAOYSA-N
XLogP5.37
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
4-chloro-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 5026512
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
3-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2222008
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 5114053
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
CID 2229836
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]hexanamide
CID 4562851
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368
N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5094011
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide (CID 3356833) is N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is FEECDKLOKHFIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-19-13-16(24-21(25)14-6-2-1-3-7-14)10-11-17(19)18-12-15-8-4-5-9-20(15)27-22(18)26/h1-13H,(H,24,25).
What are the key properties of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide has a molecular weight of 375.81 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 3356833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).