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

C22H13Cl2NO3 — CID 3915161

IUPAC2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C22H13Cl2NO3/c23-18-7-3-2-6-16(18)21(26)25-14-9-10-15(19(24)12-14)17-11-13-5-1-4-8-20(13)28-22(17)27/h1-12H,(H,25,26)
InChIKeySUADEJMTIOLNHW-UHFFFAOYSA-N
MW410.26 g/mol
LogP6.02
Rot. Bonds3

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

2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 3915161) has the molecular formula C22H13Cl2NO3 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID3915161
Molecular FormulaC22H13Cl2NO3
Molecular Weight410.26 g/mol
Exact Mass409.03
IUPAC Name2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C22H13Cl2NO3/c23-18-7-3-2-6-16(18)21(26)25-14-9-10-15(19(24)12-14)17-11-13-5-1-4-8-20(13)28-22(17)27/h1-12H,(H,25,26)
InChIKeySUADEJMTIOLNHW-UHFFFAOYSA-N
XLogP6.02
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 56.02
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

N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
CID 2229836
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
3-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2222008
4-chloro-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 5026512
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]hexanamide
CID 4562851
5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide (CID 3915161) is 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is SUADEJMTIOLNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2NO3/c23-18-7-3-2-6-16(18)21(26)25-14-9-10-15(19(24)12-14)17-11-13-5-1-4-8-20(13)28-22(17)27/h1-12H,(H,25,26).
What are the key properties of 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide?
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide has a molecular weight of 410.26 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 3915161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).