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

C27H18ClNO4 — CID 3440474

IUPACN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1
InChIInChI=1S/C27H18ClNO4/c1-32-25-14-17-7-3-2-6-16(17)12-22(25)26(30)29-19-10-11-20(23(28)15-19)21-13-18-8-4-5-9-24(18)33-27(21)31/h2-15H,1H3,(H,29,30)
InChIKeyAAYFBFLPKBSMMA-UHFFFAOYSA-N
MW455.90 g/mol
LogP6.53
Rot. Bonds4

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

N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 3440474) has the molecular formula C27H18ClNO4 and a molecular weight of 455.90 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID3440474
Molecular FormulaC27H18ClNO4
Molecular Weight455.90 g/mol
Exact Mass455.09
IUPAC NameN-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1
InChIInChI=1S/C27H18ClNO4/c1-32-25-14-17-7-3-2-6-16(17)12-22(25)26(30)29-19-10-11-20(23(28)15-19)21-13-18-8-4-5-9-24(18)33-27(21)31/h2-15H,1H3,(H,29,30)
InChIKeyAAYFBFLPKBSMMA-UHFFFAOYSA-N
XLogP6.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-4-nitrobenzamide
CID 2229836
5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
CID 17117762
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
4-chloro-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 5026512
3-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2222008
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]hexanamide
CID 4562851
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide (CID 3440474) is N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is AAYFBFLPKBSMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO4/c1-32-25-14-17-7-3-2-6-16(17)12-22(25)26(30)29-19-10-11-20(23(28)15-19)21-13-18-8-4-5-9-24(18)33-27(21)31/h2-15H,1H3,(H,29,30).
What are the key properties of N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide?
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 455.90 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3440474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).