N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide

C20H19ClN2O4 — CID 86903483

IUPACN-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)C1=Cc2ccc(OC)cc2OC1
InChIInChI=1S/C20H19ClN2O4/c1-3-22-20(25)16-9-14(21)5-7-17(16)23-19(24)13-8-12-4-6-15(26-2)10-18(12)27-11-13/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMEHHBKNIVSJFRF-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.51
Rot. Bonds5

About N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide

N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide (PubChem CID 86903483) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
PubChem CID86903483
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC NameN-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)C1=Cc2ccc(OC)cc2OC1
InChIInChI=1S/C20H19ClN2O4/c1-3-22-20(25)16-9-14(21)5-7-17(16)23-19(24)13-8-12-4-6-15(26-2)10-18(12)27-11-13/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMEHHBKNIVSJFRF-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86878702
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
ethyl 7-chloro-2H-chromene-3-carboxylate
CID 22934791
N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 91451229
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chlorophenyl]-2,5-dimethoxybenzamide
CID 22360845
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide (CID 86903483) is N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide is CCNC(=O)c1cc(Cl)ccc1NC(=O)C1=Cc2ccc(OC)cc2OC1.
What is the InChIKey of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The InChIKey is MEHHBKNIVSJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-22-20(25)16-9-14(21)5-7-17(16)23-19(24)13-8-12-4-6-15(26-2)10-18(12)27-11-13/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 86903483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).